2-N-methyl-4-N-(2-methylcyclopropyl)quinazoline-2,4-diamine

C13H16N4 — CID 80827050

IUPAC2-N-methyl-4-N-(2-methylcyclopropyl)quinazoline-2,4-diamine
SMILESCNc1nc(NC2CC2C)c2ccccc2n1
InChIInChI=1S/C13H16N4/c1-8-7-11(8)15-12-9-5-3-4-6-10(9)16-13(14-2)17-12/h3-6,8,11H,7H2,1-2H3,(H2,14,15,16,17)
InChIKeyWLBUBRKBNHWJEM-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.49
Rot. Bonds3

About 2-N-methyl-4-N-(2-methylcyclopropyl)quinazoline-2,4-diamine

2-N-methyl-4-N-(2-methylcyclopropyl)quinazoline-2,4-diamine (PubChem CID 80827050) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-N-methyl-4-N-(2-methylcyclopropyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(2-methylcyclopropyl)quinazoline-2,4-diamine
PubChem CID80827050
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-N-methyl-4-N-(2-methylcyclopropyl)quinazoline-2,4-diamine
SMILESCNc1nc(NC2CC2C)c2ccccc2n1
InChIInChI=1S/C13H16N4/c1-8-7-11(8)15-12-9-5-3-4-6-10(9)16-13(14-2)17-12/h3-6,8,11H,7H2,1-2H3,(H2,14,15,16,17)
InChIKeyWLBUBRKBNHWJEM-UHFFFAOYSA-N
XLogP2.49
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Quipazine
CID 5011
4-Aminoquinazoline
CID 84759
Spautin-1
CID 51037431
2,4-Diaminoquinazoline
CID 65087
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
Smer 28
CID 1560402
2,4,6-Triaminoquinazoline
CID 292661
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
N-Benzylquinazolin-4-amine
CID 616573

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(2-methylcyclopropyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(2-methylcyclopropyl)quinazoline-2,4-diamine (CID 80827050) is 2-N-methyl-4-N-(2-methylcyclopropyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(2-methylcyclopropyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(2-methylcyclopropyl)quinazoline-2,4-diamine is CNc1nc(NC2CC2C)c2ccccc2n1.
What is the InChIKey of 2-N-methyl-4-N-(2-methylcyclopropyl)quinazoline-2,4-diamine?
The InChIKey is WLBUBRKBNHWJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-8-7-11(8)15-12-9-5-3-4-6-10(9)16-13(14-2)17-12/h3-6,8,11H,7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-N-methyl-4-N-(2-methylcyclopropyl)quinazoline-2,4-diamine?
2-N-methyl-4-N-(2-methylcyclopropyl)quinazoline-2,4-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(2-methylcyclopropyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80827050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).