2-methyl-4-[[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrimidin-6-one

C18H25N3O — CID 137288343

IUPAC2-methyl-4-[[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrimidin-6-one
SMILESC=CC[C@H]1CC(C)=C[C@H](CC=C)N1Cc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C18H25N3O/c1-5-7-16-9-13(3)10-17(8-6-2)21(16)12-15-11-18(22)20-14(4)19-15/h5-6,9,11,16-17H,1-2,7-8,10,12H2,3-4H3,(H,19,20,22)/t16-,17-/m0/s1
InChIKeySPCGKKDHRJMMSH-IRXDYDNUSA-N
MW299.42 g/mol
LogP3.12
Rot. Bonds6

About 2-methyl-4-[[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrimidin-6-one

2-methyl-4-[[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrimidin-6-one (PubChem CID 137288343) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-methyl-4-[[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrimidin-6-one
PubChem CID137288343
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-methyl-4-[[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrimidin-6-one
SMILESC=CC[C@H]1CC(C)=C[C@H](CC=C)N1Cc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C18H25N3O/c1-5-7-16-9-13(3)10-17(8-6-2)21(16)12-15-11-18(22)20-14(4)19-15/h5-6,9,11,16-17H,1-2,7-8,10,12H2,3-4H3,(H,19,20,22)/t16-,17-/m0/s1
InChIKeySPCGKKDHRJMMSH-IRXDYDNUSA-N
XLogP3.12
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.12
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

3-[3-Fluoro-4-[2-(methylamino)ethylimino]cyclohexen-1-yl]-2,6-dimethylpyrimidin-4-one
CID 123575763
N-[[2-(cyclohexen-1-ylmethyl)-6-oxo-1H-pyrimidin-4-yl]methyl]acetamide
CID 136056184
5-{2-[(2R*,6R*)-2-allyl-6-methyl-3,6-dihydropyridin-1(2H)-yl]-2-oxoethyl}-2,6-dimethylpyrimidin-4(3H)-one
CID 136109862
N-({1-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]-1,2,3,6-tetrahydropyridin-4-yl}methyl)acetamide
CID 136145903
2-methyl-4-(1-methylpyrrolidin-2-yl)-1H-pyrimidin-6-one
CID 136483012
2-methyl-4-(1-methylpiperidin-2-yl)-1H-pyrimidin-6-one
CID 136483014
2-[2-(6-chloro-1,4-dimethyl-2H-pyridin-5-yl)ethyl]-4-methyl-1H-pyrimidin-6-one
CID 136651135
N,N-dipropylcyclohexanamine;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one
CID 145274600
N-(6-methyl-1,7a-dihydroindolo[1,2-c]quinazolin-12-yl)acetamide
CID 150009438
Cyclooctyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 8483854
2-[(Cyclooctylamino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 8483855
7-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8583054

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrimidin-6-one (CID 137288343) is 2-methyl-4-[[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrimidin-6-one is C=CC[C@H]1CC(C)=C[C@H](CC=C)N1Cc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 2-methyl-4-[[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrimidin-6-one?
The InChIKey is SPCGKKDHRJMMSH-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H25N3O/c1-5-7-16-9-13(3)10-17(8-6-2)21(16)12-15-11-18(22)20-14(4)19-15/h5-6,9,11,16-17H,1-2,7-8,10,12H2,3-4H3,(H,19,20,22)/t16-,17-/m0/s1.
What are the key properties of 2-methyl-4-[[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrimidin-6-one?
2-methyl-4-[[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrimidin-6-one has a molecular weight of 299.42 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137288343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).