6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C20H29N3O — CID 135860823

IUPAC6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESC=C(C)C1CC=C(CN2CCc3nc(CCC)[nH]c(=O)c3C2)CC1
InChIInChI=1S/C20H29N3O/c1-4-5-19-21-18-10-11-23(13-17(18)20(24)22-19)12-15-6-8-16(9-7-15)14(2)3/h6,16H,2,4-5,7-13H2,1,3H3,(H,21,22,24)
InChIKeyGWOYZFYUSOGLFG-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.38
Rot. Bonds5

About 6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135860823) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135860823
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESC=C(C)C1CC=C(CN2CCc3nc(CCC)[nH]c(=O)c3C2)CC1
InChIInChI=1S/C20H29N3O/c1-4-5-19-21-18-10-11-23(13-17(18)20(24)22-19)12-15-6-8-16(9-7-15)14(2)3/h6,16H,2,4-5,7-13H2,1,3H3,(H,21,22,24)
InChIKeyGWOYZFYUSOGLFG-UHFFFAOYSA-N
XLogP3.38
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.38
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

6-[(4-Prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135860817
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
2-(3-methylbutyl)-6-(1-methylpiperidin-3-yl)pyrimidin-4(3H)-one
CID 135876481
6-(Cyclohexylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136707124
2-[1-(2,2-Dimethylpropanoyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795637
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-[2-(Dimethylamino)ethyl]-6,6-dimethyl-3,5,7,8-tetrahydroquinazolin-4-one
CID 136378557
(7S,8S)-6-acetyl-8-butyl-2-[(1Z,5E)-6-chloro-1-iodohexa-1,5-dien-3-yl]-7-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137220590
8-Butyl-2-(4-chlorocyclohexa-2,4-dien-1-yl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbaldehyde
CID 137220703
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
8-Butyl-2-(4-chlorocyclohexa-2,4-dien-1-yl)-3-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 164028578

Frequently Asked Questions

What is the IUPAC name of 6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 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) is 6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is C=C(C)C1CC=C(CN2CCc3nc(CCC)[nH]c(=O)c3C2)CC1.
What is the InChIKey of 6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is GWOYZFYUSOGLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-4-5-19-21-18-10-11-23(13-17(18)20(24)22-19)12-15-6-8-16(9-7-15)14(2)3/h6,16H,2,4-5,7-13H2,1,3H3,(H,21,22,24).
What are the key properties of 6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 327.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135860823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).