4-N-[(2-methylpyrimidin-4-yl)methyl]quinazoline-2,4-diamine

C14H14N6 — CID 80813250

IUPAC4-N-[(2-methylpyrimidin-4-yl)methyl]quinazoline-2,4-diamine
SMILESCc1nccc(CNc2nc(N)nc3ccccc23)n1
InChIInChI=1S/C14H14N6/c1-9-16-7-6-10(18-9)8-17-13-11-4-2-3-5-12(11)19-14(15)20-13/h2-7H,8H2,1H3,(H3,15,17,19,20)
InChIKeyWTDBPDXDBVREDZ-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.92
Rot. Bonds3

About 4-N-[(2-methylpyrimidin-4-yl)methyl]quinazoline-2,4-diamine

4-N-[(2-methylpyrimidin-4-yl)methyl]quinazoline-2,4-diamine (PubChem CID 80813250) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 4-N-[(2-methylpyrimidin-4-yl)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-methylpyrimidin-4-yl)methyl]quinazoline-2,4-diamine
PubChem CID80813250
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name4-N-[(2-methylpyrimidin-4-yl)methyl]quinazoline-2,4-diamine
SMILESCc1nccc(CNc2nc(N)nc3ccccc23)n1
InChIInChI=1S/C14H14N6/c1-9-16-7-6-10(18-9)8-17-13-11-4-2-3-5-12(11)19-14(15)20-13/h2-7H,8H2,1H3,(H3,15,17,19,20)
InChIKeyWTDBPDXDBVREDZ-UHFFFAOYSA-N
XLogP1.92
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine
CID 61341548
6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine
CID 81133270
2-methyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine chloride
CID 53346777
5-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 80813252
4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazoline-2,4-diamine
CID 80807558
4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 80773541
4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770158
4-N-(2-phenoxyethyl)quinazoline-2,4-diamine
CID 80791774
3,4-difluoro-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine
CID 62533698
2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 116795587
3-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine
CID 115550367
5-amino-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-2-carboxamide
CID 114406194

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methylpyrimidin-4-yl)methyl]quinazoline-2,4-diamine?
The IUPAC name of 4-N-[(2-methylpyrimidin-4-yl)methyl]quinazoline-2,4-diamine (CID 80813250) is 4-N-[(2-methylpyrimidin-4-yl)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[(2-methylpyrimidin-4-yl)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 4-N-[(2-methylpyrimidin-4-yl)methyl]quinazoline-2,4-diamine is Cc1nccc(CNc2nc(N)nc3ccccc23)n1.
What is the InChIKey of 4-N-[(2-methylpyrimidin-4-yl)methyl]quinazoline-2,4-diamine?
The InChIKey is WTDBPDXDBVREDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c1-9-16-7-6-10(18-9)8-17-13-11-4-2-3-5-12(11)19-14(15)20-13/h2-7H,8H2,1H3,(H3,15,17,19,20).
What are the key properties of 4-N-[(2-methylpyrimidin-4-yl)methyl]quinazoline-2,4-diamine?
4-N-[(2-methylpyrimidin-4-yl)methyl]quinazoline-2,4-diamine has a molecular weight of 266.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methylpyrimidin-4-yl)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 80813250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).