3-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-5-methylhexan-2-one

C15H24N4O — CID 23394120

IUPAC3-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-5-methylhexan-2-one
SMILESCC(=O)C(CC(C)C)Nc1nc(N)nc2c1CCCC2
InChIInChI=1S/C15H24N4O/c1-9(2)8-13(10(3)20)17-14-11-6-4-5-7-12(11)18-15(16)19-14/h9,13H,4-8H2,1-3H3,(H3,16,17,18,19)
InChIKeyJDJIAUTZBPQDRO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.35
Rot. Bonds5

About 3-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-5-methylhexan-2-one

3-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-5-methylhexan-2-one (PubChem CID 23394120) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-5-methylhexan-2-one.

Molecular Properties

Compound Name3-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-5-methylhexan-2-one
PubChem CID23394120
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-5-methylhexan-2-one
SMILESCC(=O)C(CC(C)C)Nc1nc(N)nc2c1CCCC2
InChIInChI=1S/C15H24N4O/c1-9(2)8-13(10(3)20)17-14-11-6-4-5-7-12(11)18-15(16)19-14/h9,13H,4-8H2,1-3H3,(H3,16,17,18,19)
InChIKeyJDJIAUTZBPQDRO-UHFFFAOYSA-N
XLogP2.35
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-5-methylhexan-2-one with MolForge

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Related Compounds

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 24992735
1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one
CID 71696042
N-{1-[2-(Dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-YL]piperidin-4-YL}acetamide
CID 50961015
N~3~-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)-N~1~-cyclohexyl-beta-alaninamide
CID 72885252
N-[1-(2-Amino-5,6,7,8-tetrahydroquinazolin-4-YL)pyrrolidin-3-YL]acetamide
CID 72888077
2-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 121583005
(2S,4R)-4-fluoro-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 120928877
trans-(1R,2R)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 129471334
cis-(1R,2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 129471335
cis-(1S,2R)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 129471336
trans-(1S,2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 129471337
3-[(2-Methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 133460687

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-5-methylhexan-2-one?
The IUPAC name of 3-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-5-methylhexan-2-one (CID 23394120) is 3-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-5-methylhexan-2-one.
What is the SMILES notation for 3-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-5-methylhexan-2-one?
The canonical SMILES for 3-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-5-methylhexan-2-one is CC(=O)C(CC(C)C)Nc1nc(N)nc2c1CCCC2.
What is the InChIKey of 3-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-5-methylhexan-2-one?
The InChIKey is JDJIAUTZBPQDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-9(2)8-13(10(3)20)17-14-11-6-4-5-7-12(11)18-15(16)19-14/h9,13H,4-8H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 3-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-5-methylhexan-2-one?
3-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-5-methylhexan-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-5-methylhexan-2-one is sourced from PubChem (CID 23394120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).