4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-methylquinolin-7-yl)sulfanyl-9H-indeno[2,1-d]pyrimidin-8-amine

C27H26N6S — CID 160601350

IUPAC4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-methylquinolin-7-yl)sulfanyl-9H-indeno[2,1-d]pyrimidin-8-amine
SMILESCNc1cccc2c1Cc1nc(Sc3ccc4ccc(C)nc4c3)nc(N3CC4C(N)C4C3)c1-2
InChIInChI=1S/C27H26N6S/c1-14-6-7-15-8-9-16(10-22(15)30-14)34-27-31-23-11-18-17(4-3-5-21(18)29-2)24(23)26(32-27)33-12-19-20(13-33)25(19)28/h3-10,19-20,25,29H,11-13,28H2,1-2H3
InChIKeyRXYKOJMONPRNDP-UHFFFAOYSA-N
MW466.61 g/mol
LogP4.49
Rot. Bonds4

About 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-methylquinolin-7-yl)sulfanyl-9H-indeno[2,1-d]pyrimidin-8-amine

4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-methylquinolin-7-yl)sulfanyl-9H-indeno[2,1-d]pyrimidin-8-amine (PubChem CID 160601350) has the molecular formula C27H26N6S and a molecular weight of 466.61 g/mol. Its IUPAC name is 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-methylquinolin-7-yl)sulfanyl-9H-indeno[2,1-d]pyrimidin-8-amine.

Molecular Properties

Compound Name4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-methylquinolin-7-yl)sulfanyl-9H-indeno[2,1-d]pyrimidin-8-amine
PubChem CID160601350
Molecular FormulaC27H26N6S
Molecular Weight466.61 g/mol
Exact Mass466.19
IUPAC Name4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-methylquinolin-7-yl)sulfanyl-9H-indeno[2,1-d]pyrimidin-8-amine
SMILESCNc1cccc2c1Cc1nc(Sc3ccc4ccc(C)nc4c3)nc(N3CC4C(N)C4C3)c1-2
InChIInChI=1S/C27H26N6S/c1-14-6-7-15-8-9-16(10-22(15)30-14)34-27-31-23-11-18-17(4-3-5-21(18)29-2)24(23)26(32-27)33-12-19-20(13-33)25(19)28/h3-10,19-20,25,29H,11-13,28H2,1-2H3
InChIKeyRXYKOJMONPRNDP-UHFFFAOYSA-N
XLogP4.49
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-methylquinolin-7-yl)sulfanyl-9H-indeno[2,1-d]pyrimidin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
CID 162194950
4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
CID 159301015
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-ylsulfanyl)-9H-indeno[2,1-d]pyrimidin-8-amine
CID 157101761
(3S,4S)-4-methyl-1-[8-methyl-2-[(5-oxido-1,5-naphthyridin-5-ium-3-yl)sulfanyl]-9H-indeno[2,1-d]pyrimidin-4-yl]piperidin-3-amine
CID 162257316
4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
CID 162019129
4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-8-methyl-2-[(5-oxido-1,5-naphthyridin-5-ium-3-yl)sulfanyl]-9H-indeno[2,1-d]pyrimidine
CID 158847697
4-(2-amino-5-azaspiro[2.4]heptan-5-yl)-6-fluoro-N-methyl-2-[(5-methyl-1,5-naphthyridin-5-ium-3-yl)sulfanyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(7-amino-5-azaspiro[2.4]heptan-5-yl)-N-methyl-2-[(5-methyl-1,5-naphthyridin-5-ium-3-yl)sulfanyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(7-amino-5-azaspiro[2.4]heptan-5-yl)-N-methyl-2-(1,5-naphthyridin-3-ylsulfanyl)-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,4S)-4-amino-2-methylpyrrolidin-1-yl]-N-methyl-2-(1,5-naphthyridin-3-ylsulfanyl)-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,4R)-4-amino-2-methylpyrrolidin-1-yl]-N-methyl-2-(1,5-naphthyridin-3-ylsulfanyl)-9H-indeno[2,1-d]pyrimidin-8-amine
CID 158379382
4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2S,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(7-amino-2-azaspiro[3.3]heptan-2-yl)-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine
CID 158119386
1-[2-[(5-hydroxy-1H-1,5-naphthyridin-3-yl)sulfanyl]-8-methyliminopyrimido[4,5-b]indol-4-yl]azetidin-3-ol;[1-[8-(methylamino)-2-(1,5-naphthyridin-3-ylsulfanyl)-9H-indeno[2,1-d]pyrimidin-4-yl]piperidin-4-yl]-thiophen-2-ylmethanol;[1-[8-(methylamino)-2-(1,5-naphthyridin-3-ylsulfanyl)-9H-indeno[2,1-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 158134303
4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine
CID 159611744
3-(8-methoxy-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 152890402
3-[6-fluoro-8-methyl-2-[2-(3-methylazetidin-1-yl)pyrimidin-5-yl]oxy-9H-indeno[2,1-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 161128313

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-methylquinolin-7-yl)sulfanyl-9H-indeno[2,1-d]pyrimidin-8-amine?
The IUPAC name of 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-methylquinolin-7-yl)sulfanyl-9H-indeno[2,1-d]pyrimidin-8-amine (CID 160601350) is 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-methylquinolin-7-yl)sulfanyl-9H-indeno[2,1-d]pyrimidin-8-amine.
What is the SMILES notation for 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-methylquinolin-7-yl)sulfanyl-9H-indeno[2,1-d]pyrimidin-8-amine?
The canonical SMILES for 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-methylquinolin-7-yl)sulfanyl-9H-indeno[2,1-d]pyrimidin-8-amine is CNc1cccc2c1Cc1nc(Sc3ccc4ccc(C)nc4c3)nc(N3CC4C(N)C4C3)c1-2.
What is the InChIKey of 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-methylquinolin-7-yl)sulfanyl-9H-indeno[2,1-d]pyrimidin-8-amine?
The InChIKey is RXYKOJMONPRNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6S/c1-14-6-7-15-8-9-16(10-22(15)30-14)34-27-31-23-11-18-17(4-3-5-21(18)29-2)24(23)26(32-27)33-12-19-20(13-33)25(19)28/h3-10,19-20,25,29H,11-13,28H2,1-2H3.
What are the key properties of 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-methylquinolin-7-yl)sulfanyl-9H-indeno[2,1-d]pyrimidin-8-amine?
4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-methylquinolin-7-yl)sulfanyl-9H-indeno[2,1-d]pyrimidin-8-amine has a molecular weight of 466.61 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-methylquinolin-7-yl)sulfanyl-9H-indeno[2,1-d]pyrimidin-8-amine is sourced from PubChem (CID 160601350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).