[4-methyl-2-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

C15H19N5 — CID 115531306

IUPAC[4-methyl-2-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCc1nccc(-c2nc(C)c3c(n2)CCC(CN)C3)n1
InChIInChI=1S/C15H19N5/c1-9-12-7-11(8-16)3-4-13(12)20-15(18-9)14-5-6-17-10(2)19-14/h5-6,11H,3-4,7-8,16H2,1-2H3
InChIKeyYBHRCFJKCRCQSW-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.61
Rot. Bonds2

About [4-methyl-2-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

[4-methyl-2-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (PubChem CID 115531306) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is [4-methyl-2-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
PubChem CID115531306
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name[4-methyl-2-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCc1nccc(-c2nc(C)c3c(n2)CCC(CN)C3)n1
InChIInChI=1S/C15H19N5/c1-9-12-7-11(8-16)3-4-13(12)20-15(18-9)14-5-6-17-10(2)19-14/h5-6,11H,3-4,7-8,16H2,1-2H3
InChIKeyYBHRCFJKCRCQSW-UHFFFAOYSA-N
XLogP1.61
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-methyl-2-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine with MolForge

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Related Compounds

[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 114878860
[2-(2,6-dimethyl-4-pyridinyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 107504552
(4-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81424289
[2-(3,5-difluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81426125
[2-(4-bromo-2-methylphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 103083994
[2-(3-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81424855
[4-methyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81424457
[2-(2-bromo-5-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 107924337
[4-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81425186
[2-(1-ethoxypropyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 116731974
[2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81424046
N-methyl-1-[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 114878861

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The IUPAC name of [4-methyl-2-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (CID 115531306) is [4-methyl-2-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.
What is the SMILES notation for [4-methyl-2-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The canonical SMILES for [4-methyl-2-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is Cc1nccc(-c2nc(C)c3c(n2)CCC(CN)C3)n1.
What is the InChIKey of [4-methyl-2-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The InChIKey is YBHRCFJKCRCQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-9-12-7-11(8-16)3-4-13(12)20-15(18-9)14-5-6-17-10(2)19-14/h5-6,11H,3-4,7-8,16H2,1-2H3.
What are the key properties of [4-methyl-2-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
[4-methyl-2-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine has a molecular weight of 269.35 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is sourced from PubChem (CID 115531306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).