2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-2,4-diamine

C16H17N5 — CID 80796871

IUPAC2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-2,4-diamine
SMILESCNc1nc(NCc2cccc(C)n2)c2ccccc2n1
InChIInChI=1S/C16H17N5/c1-11-6-5-7-12(19-11)10-18-15-13-8-3-4-9-14(13)20-16(17-2)21-15/h3-9H,10H2,1-2H3,(H2,17,18,20,21)
InChIKeyMGIXECNXJVHSJA-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.99
Rot. Bonds4

About 2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-2,4-diamine

2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-2,4-diamine (PubChem CID 80796871) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-2,4-diamine
PubChem CID80796871
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-2,4-diamine
SMILESCNc1nc(NCc2cccc(C)n2)c2ccccc2n1
InChIInChI=1S/C16H17N5/c1-11-6-5-7-12(19-11)10-18-15-13-8-3-4-9-14(13)20-16(17-2)21-15/h3-9H,10H2,1-2H3,(H2,17,18,20,21)
InChIKeyMGIXECNXJVHSJA-UHFFFAOYSA-N
XLogP2.99
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80773003
4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80750131
2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770166
2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)quinazoline-2,4-diamine
CID 106424669
2-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)quinazoline-2,4-diamine
CID 106411968
2-N,2-N,6-N-trimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80821942
6-methoxy-4-N-methyl-2-N-[(6-methyl-2-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80821680
4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-methylquinazoline-2,4-diamine
CID 80812879
4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine
CID 80792753
4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine
CID 138683087
4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
CID 80783719
2-methyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine chloride
CID 53346777

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-2,4-diamine (CID 80796871) is 2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-2,4-diamine is CNc1nc(NCc2cccc(C)n2)c2ccccc2n1.
What is the InChIKey of 2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-2,4-diamine?
The InChIKey is MGIXECNXJVHSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-11-6-5-7-12(19-11)10-18-15-13-8-3-4-9-14(13)20-16(17-2)21-15/h3-9H,10H2,1-2H3,(H2,17,18,20,21).
What are the key properties of 2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-2,4-diamine?
2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-2,4-diamine has a molecular weight of 279.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 80796871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).