6-[2-(methylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylsulfanyl-1H-indazol-3-amine

C18H23N7OS — CID 58504699

IUPAC6-[2-(methylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylsulfanyl-1H-indazol-3-amine
SMILESCNc1nc(-c2cc(SC)c3c(N)n[nH]c3c2)cc(N2CCOC[C@H]2C)n1
InChIInChI=1S/C18H23N7OS/c1-10-9-26-5-4-25(10)15-8-12(21-18(20-2)22-15)11-6-13-16(14(7-11)27-3)17(19)24-23-13/h6-8,10H,4-5,9H2,1-3H3,(H3,19,23,24)(H,20,21,22)/t10-/m1/s1
InChIKeyUIKAHEVPZDFSQB-SNVBAGLBSA-N
MW385.50 g/mol
LogP2.59
Rot. Bonds4

About 6-[2-(methylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylsulfanyl-1H-indazol-3-amine

6-[2-(methylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylsulfanyl-1H-indazol-3-amine (PubChem CID 58504699) has the molecular formula C18H23N7OS and a molecular weight of 385.50 g/mol. Its IUPAC name is 6-[2-(methylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylsulfanyl-1H-indazol-3-amine.

Molecular Properties

Compound Name6-[2-(methylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylsulfanyl-1H-indazol-3-amine
PubChem CID58504699
Molecular FormulaC18H23N7OS
Molecular Weight385.50 g/mol
Exact Mass385.17
IUPAC Name6-[2-(methylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylsulfanyl-1H-indazol-3-amine
SMILESCNc1nc(-c2cc(SC)c3c(N)n[nH]c3c2)cc(N2CCOC[C@H]2C)n1
InChIInChI=1S/C18H23N7OS/c1-10-9-26-5-4-25(10)15-8-12(21-18(20-2)22-15)11-6-13-16(14(7-11)27-3)17(19)24-23-13/h6-8,10H,4-5,9H2,1-3H3,(H3,19,23,24)(H,20,21,22)/t10-/m1/s1
InChIKeyUIKAHEVPZDFSQB-SNVBAGLBSA-N
XLogP2.59
TPSA104.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[2-(methylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylsulfanyl-1H-indazol-3-amine with MolForge

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Launch Full Analysis

Related Compounds

6-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-4-methylsulfanyl-1H-indazol-3-amine
CID 58504676
6-[6-(3-ethylmorpholin-4-yl)-2-(methylamino)pyrimidin-4-yl]-4-fluoro-1H-indazol-3-amine
CID 75150958
4-ethoxy-6-[2-(methylamino)-6-[(3R)-3-propan-2-ylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 58504789
4-methoxy-6-[2-(methylamino)-6-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 46215124
6-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-N-methyl-1H-indazol-3-amine
CID 70886740
4-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-2,6-difluorobenzonitrile
CID 58504475
tert-butyl N-[(3R)-1-[6-(3-amino-4-methoxy-1H-indazol-6-yl)-2-(methylamino)pyrimidin-4-yl]piperidin-3-yl]carbamate
CID 58504563
(3S,6S)-1-[6-(3-amino-1H-indazol-6-yl)-2-(methylamino)pyrimidin-4-yl]-N-cyclohexyl-6-methylpiperidine-3-carboxamide
CID 73265231
(2S)-4-[6-(3-amino-1H-indazol-6-yl)-2-(methylamino)pyrimidin-4-yl]-N-benzyl-5-methylmorpholine-2-carboxamide
CID 118273263
4-[6-(3-amino-1H-indazol-6-yl)-2-(methylamino)pyrimidin-4-yl]-N-benzyl-5-methylmorpholine-2-carboxamide
CID 90848853
6-(3-methylmorpholin-4-yl)pyridine-2,3-diamine
CID 79826016
4-chloro-6-(3-ethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
CID 76806771

Frequently Asked Questions

What is the IUPAC name of 6-[2-(methylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylsulfanyl-1H-indazol-3-amine?
The IUPAC name of 6-[2-(methylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylsulfanyl-1H-indazol-3-amine (CID 58504699) is 6-[2-(methylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylsulfanyl-1H-indazol-3-amine.
What is the SMILES notation for 6-[2-(methylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylsulfanyl-1H-indazol-3-amine?
The canonical SMILES for 6-[2-(methylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylsulfanyl-1H-indazol-3-amine is CNc1nc(-c2cc(SC)c3c(N)n[nH]c3c2)cc(N2CCOC[C@H]2C)n1.
What is the InChIKey of 6-[2-(methylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylsulfanyl-1H-indazol-3-amine?
The InChIKey is UIKAHEVPZDFSQB-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H23N7OS/c1-10-9-26-5-4-25(10)15-8-12(21-18(20-2)22-15)11-6-13-16(14(7-11)27-3)17(19)24-23-13/h6-8,10H,4-5,9H2,1-3H3,(H3,19,23,24)(H,20,21,22)/t10-/m1/s1.
What are the key properties of 6-[2-(methylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylsulfanyl-1H-indazol-3-amine?
6-[2-(methylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylsulfanyl-1H-indazol-3-amine has a molecular weight of 385.50 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylsulfanyl-1H-indazol-3-amine is sourced from PubChem (CID 58504699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).