N,N-dipropylcyclohexanamine;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one

C22H39N3O — CID 145274600

IUPACN,N-dipropylcyclohexanamine;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one
SMILESC/C=C\c1nc(C)[nH]c(=O)c1CC.CCCN(CCC)C1CCCCC1
InChIInChI=1S/C12H25N.C10H14N2O/c1-3-10-13(11-4-2)12-8-6-5-7-9-12;1-4-6-9-8(5-2)10(13)12-7(3)11-9/h12H,3-11H2,1-2H3;4,6H,5H2,1-3H3,(H,11,12,13)/b;6-4-
InChIKeyVREOCPOLPJGYDF-QQLTZMNSSA-N
MW361.57 g/mol
LogP5.11
Rot. Bonds7

About N,N-dipropylcyclohexanamine;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one

N,N-dipropylcyclohexanamine;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one (PubChem CID 145274600) has the molecular formula C22H39N3O and a molecular weight of 361.57 g/mol. Its IUPAC name is N,N-dipropylcyclohexanamine;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound NameN,N-dipropylcyclohexanamine;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one
PubChem CID145274600
Molecular FormulaC22H39N3O
Molecular Weight361.57 g/mol
Exact Mass361.31
IUPAC NameN,N-dipropylcyclohexanamine;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one
SMILESC/C=C\c1nc(C)[nH]c(=O)c1CC.CCCN(CCC)C1CCCCC1
InChIInChI=1S/C12H25N.C10H14N2O/c1-3-10-13(11-4-2)12-8-6-5-7-9-12;1-4-6-9-8(5-2)10(13)12-7(3)11-9/h12H,3-11H2,1-2H3;4,6H,5H2,1-3H3,(H,11,12,13)/b;6-4-
InChIKeyVREOCPOLPJGYDF-QQLTZMNSSA-N
XLogP5.11
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dipropylcyclohexanamine;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-{2-[(2R*,6R*)-2-allyl-6-methyl-3,6-dihydropyridin-1(2H)-yl]-2-oxoethyl}-2,6-dimethylpyrimidin-4(3H)-one
CID 136109862
2-pentyl-7,8-dihydro-3H-quinazolin-4-one
CID 136338008
4-ethyl-5-[2-[[(3Z,6Z)-octa-3,6-dienyl]amino]ethyl]-2-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-pyrimidin-6-one
CID 145481585
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
5-ethyl-2-methyl-4-[[(7E,9Z)-7-methyldodeca-7,9,11-trien-3-yl]amino]-1H-pyrimidin-6-one
CID 155112261
N-formyl-4-[2-methyl-6-oxo-4-[(1Z,3E)-penta-1,3-dienyl]-5-[(Z)-prop-1-enyl]pyrimidin-1-yl]pentanamide
CID 166972944
5-[1-(cyclohexylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136075284
5-[1-[2-(cyclohexen-1-yl)ethylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136091286
2,4-dimethyl-5-[3-oxo-3-(2-propan-2-ylimino-1-pyridinyl)propyl]-1H-pyrimidin-6-one
CID 136131682
5-[1-(cyclohex-3-en-1-ylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136239795
6-{[rac-(2S,6S)-2,6-diallyl-4-methyl-3,6-dihydropyridin-1(2H)-yl]methyl}-2-methylpyrimidin-4-ol
CID 137288343
(E)-3-[(C-butan-2-yl-N-cyclohexylcarbonimidoyl)amino]-N-ethyl-2-methyl-N-prop-1-en-2-ylhept-2-enamide
CID 143232012

Frequently Asked Questions

What is the IUPAC name of N,N-dipropylcyclohexanamine;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one?
The IUPAC name of N,N-dipropylcyclohexanamine;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one (CID 145274600) is N,N-dipropylcyclohexanamine;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one.
What is the SMILES notation for N,N-dipropylcyclohexanamine;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one?
The canonical SMILES for N,N-dipropylcyclohexanamine;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one is C/C=C\c1nc(C)[nH]c(=O)c1CC.CCCN(CCC)C1CCCCC1.
What is the InChIKey of N,N-dipropylcyclohexanamine;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one?
The InChIKey is VREOCPOLPJGYDF-QQLTZMNSSA-N. The full InChI is InChI=1S/C12H25N.C10H14N2O/c1-3-10-13(11-4-2)12-8-6-5-7-9-12;1-4-6-9-8(5-2)10(13)12-7(3)11-9/h12H,3-11H2,1-2H3;4,6H,5H2,1-3H3,(H,11,12,13)/b;6-4-.
What are the key properties of N,N-dipropylcyclohexanamine;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one?
N,N-dipropylcyclohexanamine;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one has a molecular weight of 361.57 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropylcyclohexanamine;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 145274600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).