4-N-(2-methylpropyl)quinazoline-2,4-diamine

C12H16N4 — CID 80770158

IUPAC4-N-(2-methylpropyl)quinazoline-2,4-diamine
SMILESCC(C)CNc1nc(N)nc2ccccc12
InChIInChI=1S/C12H16N4/c1-8(2)7-14-11-9-5-3-4-6-10(9)15-12(13)16-11/h3-6,8H,7H2,1-2H3,(H3,13,14,15,16)
InChIKeyLMEBMAADALQSRC-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.28
Rot. Bonds3

About 4-N-(2-methylpropyl)quinazoline-2,4-diamine

4-N-(2-methylpropyl)quinazoline-2,4-diamine (PubChem CID 80770158) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-N-(2-methylpropyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methylpropyl)quinazoline-2,4-diamine
PubChem CID80770158
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-N-(2-methylpropyl)quinazoline-2,4-diamine
SMILESCC(C)CNc1nc(N)nc2ccccc12
InChIInChI=1S/C12H16N4/c1-8(2)7-14-11-9-5-3-4-6-10(9)15-12(13)16-11/h3-6,8H,7H2,1-2H3,(H3,13,14,15,16)
InChIKeyLMEBMAADALQSRC-UHFFFAOYSA-N
XLogP2.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831388
N-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 155520248
1-[(2-aminoquinazolin-4-yl)amino]-3-ethylpentan-2-ol
CID 106288982
2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770166
2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine
CID 727473
4-N-(1-methoxypropan-2-yl)quinazoline-2,4-diamine
CID 80786097
3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol
CID 83179969
4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazoline-2,4-diamine
CID 80807558
4-N-(3-methylsulfonylpropyl)quinazoline-2,4-diamine
CID 80812152
4-N-(2-phenoxyethyl)quinazoline-2,4-diamine
CID 80791774
2-chloro-4-N-(2-methylpropyl)quinoline-3,4-diamine
CID 11747039
4-N-[(4-methylcyclohexyl)methyl]quinazoline-2,4-diamine
CID 80828289

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylpropyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(2-methylpropyl)quinazoline-2,4-diamine (CID 80770158) is 4-N-(2-methylpropyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(2-methylpropyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(2-methylpropyl)quinazoline-2,4-diamine is CC(C)CNc1nc(N)nc2ccccc12.
What is the InChIKey of 4-N-(2-methylpropyl)quinazoline-2,4-diamine?
The InChIKey is LMEBMAADALQSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-8(2)7-14-11-9-5-3-4-6-10(9)15-12(13)16-11/h3-6,8H,7H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 4-N-(2-methylpropyl)quinazoline-2,4-diamine?
4-N-(2-methylpropyl)quinazoline-2,4-diamine has a molecular weight of 216.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylpropyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80770158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).