7-(cyclohex-3-en-1-ylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C15H21N3O — CID 135865541

IUPAC7-(cyclohex-3-en-1-ylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCN(CC1CC=CCC1)C2
InChIInChI=1S/C15H21N3O/c1-11-16-14-10-18(8-7-13(14)15(19)17-11)9-12-5-3-2-4-6-12/h2-3,12H,4-10H2,1H3,(H,16,17,19)
InChIKeyNQZBJIVZQDQKKS-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.79
Rot. Bonds2

About 7-(cyclohex-3-en-1-ylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-(cyclohex-3-en-1-ylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135865541) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 7-(cyclohex-3-en-1-ylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(cyclohex-3-en-1-ylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135865541
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name7-(cyclohex-3-en-1-ylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCN(CC1CC=CCC1)C2
InChIInChI=1S/C15H21N3O/c1-11-16-14-10-18(8-7-13(14)15(19)17-11)9-12-5-3-2-4-6-12/h2-3,12H,4-10H2,1H3,(H,16,17,19)
InChIKeyNQZBJIVZQDQKKS-UHFFFAOYSA-N
XLogP1.79
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(Cyclohex-3-en-1-ylmethyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865544
6-(Cyclohex-3-en-1-ylmethyl)-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918827
7-(Cyclohexylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865784
7-[(2,4-Dimethylcyclohex-3-en-1-yl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137095098
2-((Dimethylamino)methyl)-6,6-dimethyl-5,6,7,8-tetrahydroquinazolin-4-ol
CID 136331538
2-(cyclohexa-2,4-dien-1-ylmethyl)-7-[(3Z,5Z)-2-methylocta-3,5-dienyl]-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 145481609
2-[(Cyclohex-3-en-1-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62670561
6-Methyl-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054640
2-Methyl-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135860814
2-Propan-2-yl-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135860815
2-Tert-butyl-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135860816
6-[(4-Prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135860823

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohex-3-en-1-ylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(cyclohex-3-en-1-ylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135865541) is 7-(cyclohex-3-en-1-ylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(cyclohex-3-en-1-ylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(cyclohex-3-en-1-ylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CCN(CC1CC=CCC1)C2.
What is the InChIKey of 7-(cyclohex-3-en-1-ylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is NQZBJIVZQDQKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-16-14-10-18(8-7-13(14)15(19)17-11)9-12-5-3-2-4-6-12/h2-3,12H,4-10H2,1H3,(H,16,17,19).
What are the key properties of 7-(cyclohex-3-en-1-ylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(cyclohex-3-en-1-ylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 259.35 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohex-3-en-1-ylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135865541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).