(2E)-2-(4,6,8-trimethylquinazolin-2-yl)imino-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C18H19N5O — CID 137316030

IUPAC(2E)-2-(4,6,8-trimethylquinazolin-2-yl)imino-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1cc(C)c2nc(/N=C3/N=C4CCCC4C(=O)N3)nc(C)c2c1
InChIInChI=1S/C18H19N5O/c1-9-7-10(2)15-13(8-9)11(3)19-17(21-15)23-18-20-14-6-4-5-12(14)16(24)22-18/h7-8,12H,4-6H2,1-3H3,(H,19,21,22,23,24)
InChIKeyJCFSAHFYEGDMOC-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.91
Rot. Bonds1

About (2E)-2-(4,6,8-trimethylquinazolin-2-yl)imino-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

(2E)-2-(4,6,8-trimethylquinazolin-2-yl)imino-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 137316030) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is (2E)-2-(4,6,8-trimethylquinazolin-2-yl)imino-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name(2E)-2-(4,6,8-trimethylquinazolin-2-yl)imino-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID137316030
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name(2E)-2-(4,6,8-trimethylquinazolin-2-yl)imino-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1cc(C)c2nc(/N=C3/N=C4CCCC4C(=O)N3)nc(C)c2c1
InChIInChI=1S/C18H19N5O/c1-9-7-10(2)15-13(8-9)11(3)19-17(21-15)23-18-20-14-6-4-5-12(14)16(24)22-18/h7-8,12H,4-6H2,1-3H3,(H,19,21,22,23,24)
InChIKeyJCFSAHFYEGDMOC-UHFFFAOYSA-N
XLogP2.91
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-sulfanylidene-5,6,7,8-tetrahydro-4aH-quinazolin-4-one
CID 170921052
2-cycloheptyl-4,6-dimethyl-1H-benzimidazole
CID 82946449
N-[N-butanoyl-N'-(4,6,8-trimethylquinazolin-2-yl)carbamimidoyl]butanamide
CID 135448072
4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135402276
9-(1-iodoethenyl)-3,3,5,7-tetramethyl-2,4-dihydroacridin-1-one
CID 102458864
4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)methyl]-3H-pyridin-6-one
CID 159857204
4,6,8-trimethyl-N-(4,5,6-trimethylpyrimidin-2-yl)quinazolin-2-amine
CID 23881466
5-ethyl-4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135762344
5-(2-methoxyethyl)-6-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 73357966
N-(2,6,8-trimethylquinolin-4-yl)cyclohexanecarboxamide
CID 43853809
1-[5-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850850
7,7-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-6,8-dihydroquinazolin-5-one
CID 1401946

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(4,6,8-trimethylquinazolin-2-yl)imino-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of (2E)-2-(4,6,8-trimethylquinazolin-2-yl)imino-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 137316030) is (2E)-2-(4,6,8-trimethylquinazolin-2-yl)imino-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for (2E)-2-(4,6,8-trimethylquinazolin-2-yl)imino-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for (2E)-2-(4,6,8-trimethylquinazolin-2-yl)imino-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is Cc1cc(C)c2nc(/N=C3/N=C4CCCC4C(=O)N3)nc(C)c2c1.
What is the InChIKey of (2E)-2-(4,6,8-trimethylquinazolin-2-yl)imino-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is JCFSAHFYEGDMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-9-7-10(2)15-13(8-9)11(3)19-17(21-15)23-18-20-14-6-4-5-12(14)16(24)22-18/h7-8,12H,4-6H2,1-3H3,(H,19,21,22,23,24).
What are the key properties of (2E)-2-(4,6,8-trimethylquinazolin-2-yl)imino-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
(2E)-2-(4,6,8-trimethylquinazolin-2-yl)imino-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 321.38 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(4,6,8-trimethylquinazolin-2-yl)imino-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 137316030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).