4-amino-2-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-5-carboxamide

C15H16N4O — CID 116648134

IUPAC4-amino-2-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCc3ccccc32)nc(N)c1C(N)=O
InChIInChI=1S/C15H16N4O/c1-8-12(14(17)20)13(16)19-15(18-8)11-7-6-9-4-2-3-5-10(9)11/h2-5,11H,6-7H2,1H3,(H2,17,20)(H2,16,18,19)
InChIKeyQIBIRHZLJAHSJT-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.54
Rot. Bonds2

About 4-amino-2-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-5-carboxamide

4-amino-2-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-5-carboxamide (PubChem CID 116648134) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-amino-2-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-5-carboxamide
PubChem CID116648134
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-amino-2-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCc3ccccc32)nc(N)c1C(N)=O
InChIInChI=1S/C15H16N4O/c1-8-12(14(17)20)13(16)19-15(18-8)11-7-6-9-4-2-3-5-10(9)11/h2-5,11H,6-7H2,1H3,(H2,17,20)(H2,16,18,19)
InChIKeyQIBIRHZLJAHSJT-UHFFFAOYSA-N
XLogP1.54
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-5-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 63251001
4-amino-2-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-5-carboxylic acid
CID 116647303
[5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]hydrazine
CID 63250464
4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 55217602
2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 65407148
5-bromo-2-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylpyrimidin-4-amine
CID 66306066
2-(2,3-dihydro-1H-inden-1-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66303839
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-4-carboxylic acid
CID 63250465
2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine
CID 140627468
4-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1,3,5-triazin-2-amine
CID 65403941
4-amino-6-methyl-2-(2-methylphenyl)pyrimidine-5-carboxamide
CID 116648136
4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 65413885

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-5-carboxamide (CID 116648134) is 4-amino-2-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-5-carboxamide is Cc1nc(C2CCc3ccccc32)nc(N)c1C(N)=O.
What is the InChIKey of 4-amino-2-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-5-carboxamide?
The InChIKey is QIBIRHZLJAHSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-8-12(14(17)20)13(16)19-15(18-8)11-7-6-9-4-2-3-5-10(9)11/h2-5,11H,6-7H2,1H3,(H2,17,20)(H2,16,18,19).
What are the key properties of 4-amino-2-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-5-carboxamide?
4-amino-2-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-5-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 116648134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).