1-[(2-aminoquinazolin-4-yl)amino]-3-ethylpentan-2-ol

C15H22N4O — CID 106288982

IUPAC1-[(2-aminoquinazolin-4-yl)amino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNc1nc(N)nc2ccccc12
InChIInChI=1S/C15H22N4O/c1-3-10(4-2)13(20)9-17-14-11-7-5-6-8-12(11)18-15(16)19-14/h5-8,10,13,20H,3-4,9H2,1-2H3,(H3,16,17,18,19)
InChIKeyZGMVKKRWXYINEH-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.42
Rot. Bonds6

About 1-[(2-aminoquinazolin-4-yl)amino]-3-ethylpentan-2-ol

1-[(2-aminoquinazolin-4-yl)amino]-3-ethylpentan-2-ol (PubChem CID 106288982) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-[(2-aminoquinazolin-4-yl)amino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[(2-aminoquinazolin-4-yl)amino]-3-ethylpentan-2-ol
PubChem CID106288982
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-[(2-aminoquinazolin-4-yl)amino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNc1nc(N)nc2ccccc12
InChIInChI=1S/C15H22N4O/c1-3-10(4-2)13(20)9-17-14-11-7-5-6-8-12(11)18-15(16)19-14/h5-8,10,13,20H,3-4,9H2,1-2H3,(H3,16,17,18,19)
InChIKeyZGMVKKRWXYINEH-UHFFFAOYSA-N
XLogP2.42
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770158
4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831388
1-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-ethylpentan-2-ol
CID 106288959
3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine
CID 106286875
4-N-(3-ethoxypropyl)quinazoline-2,4-diamine
CID 80773022
4-[(2-aminoquinazolin-4-yl)amino]butanamide
CID 80790515
3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol
CID 83179969
4-N-(2,2-dimethylheptyl)quinazoline-2,4-diamine
CID 80838890
(2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol
CID 42149810
4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine
CID 80789448
4-N-(3-methylsulfonylpropyl)quinazoline-2,4-diamine
CID 80812152
4-N-(2-phenoxyethyl)quinazoline-2,4-diamine
CID 80791774

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminoquinazolin-4-yl)amino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[(2-aminoquinazolin-4-yl)amino]-3-ethylpentan-2-ol (CID 106288982) is 1-[(2-aminoquinazolin-4-yl)amino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[(2-aminoquinazolin-4-yl)amino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[(2-aminoquinazolin-4-yl)amino]-3-ethylpentan-2-ol is CCC(CC)C(O)CNc1nc(N)nc2ccccc12.
What is the InChIKey of 1-[(2-aminoquinazolin-4-yl)amino]-3-ethylpentan-2-ol?
The InChIKey is ZGMVKKRWXYINEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-10(4-2)13(20)9-17-14-11-7-5-6-8-12(11)18-15(16)19-14/h5-8,10,13,20H,3-4,9H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 1-[(2-aminoquinazolin-4-yl)amino]-3-ethylpentan-2-ol?
1-[(2-aminoquinazolin-4-yl)amino]-3-ethylpentan-2-ol has a molecular weight of 274.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminoquinazolin-4-yl)amino]-3-ethylpentan-2-ol is sourced from PubChem (CID 106288982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).