4,6,7-trimethyl-N-[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine

C20H23N7 — CID 667110

IUPAC4,6,7-trimethyl-N-[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
SMILESCc1cc2nc(NC3=NCN(Cc4cccnc4)CN3)nc(C)c2cc1C
InChIInChI=1S/C20H23N7/c1-13-7-17-15(3)24-20(25-18(17)8-14(13)2)26-19-22-11-27(12-23-19)10-16-5-4-6-21-9-16/h4-9H,10-12H2,1-3H3,(H2,22,23,24,25,26)
InChIKeyZXFVMVBFFMHLDY-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.74
Rot. Bonds3

About 4,6,7-trimethyl-N-[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine

4,6,7-trimethyl-N-[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine (PubChem CID 667110) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4,6,7-trimethyl-N-[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine.

Molecular Properties

Compound Name4,6,7-trimethyl-N-[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
PubChem CID667110
Molecular FormulaC20H23N7
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC Name4,6,7-trimethyl-N-[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
SMILESCc1cc2nc(NC3=NCN(Cc4cccnc4)CN3)nc(C)c2cc1C
InChIInChI=1S/C20H23N7/c1-13-7-17-15(3)24-20(25-18(17)8-14(13)2)26-19-22-11-27(12-23-19)10-16-5-4-6-21-9-16/h4-9H,10-12H2,1-3H3,(H2,22,23,24,25,26)
InChIKeyZXFVMVBFFMHLDY-UHFFFAOYSA-N
XLogP2.74
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4,6,7-trimethyl-N-[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine with MolForge

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Related Compounds

Ngd-8243
CID 11247522
Ly-3009120
CID 71721540
Pazelliptine
CID 68853
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Sch-79797
CID 4259181
N6-[2-[5-(diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine
CID 409805
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
Sri-9439
CID 446752
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
N-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)quinolin-7-amine
CID 10248318
N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 133082038

Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethyl-N-[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine?
The IUPAC name of 4,6,7-trimethyl-N-[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine (CID 667110) is 4,6,7-trimethyl-N-[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine.
What is the SMILES notation for 4,6,7-trimethyl-N-[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine?
The canonical SMILES for 4,6,7-trimethyl-N-[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine is Cc1cc2nc(NC3=NCN(Cc4cccnc4)CN3)nc(C)c2cc1C.
What is the InChIKey of 4,6,7-trimethyl-N-[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine?
The InChIKey is ZXFVMVBFFMHLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7/c1-13-7-17-15(3)24-20(25-18(17)8-14(13)2)26-19-22-11-27(12-23-19)10-16-5-4-6-21-9-16/h4-9H,10-12H2,1-3H3,(H2,22,23,24,25,26).
What are the key properties of 4,6,7-trimethyl-N-[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine?
4,6,7-trimethyl-N-[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine has a molecular weight of 361.45 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethyl-N-[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine is sourced from PubChem (CID 667110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).