6-ethenyl-3-[(4-methoxycyclohexyl)methyl]-1-methyl-5-(methylideneamino)pyrimidine-2,4-dione

C16H23N3O3 — CID 134557401

IUPAC6-ethenyl-3-[(4-methoxycyclohexyl)methyl]-1-methyl-5-(methylideneamino)pyrimidine-2,4-dione
SMILESC=Cc1c(N=C)c(=O)n(CC2CCC(OC)CC2)c(=O)n1C
InChIInChI=1S/C16H23N3O3/c1-5-13-14(17-2)15(20)19(16(21)18(13)3)10-11-6-8-12(22-4)9-7-11/h5,11-12H,1-2,6-10H2,3-4H3
InChIKeyTVWZHXLCFREDRB-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.73
Rot. Bonds5

About 6-ethenyl-3-[(4-methoxycyclohexyl)methyl]-1-methyl-5-(methylideneamino)pyrimidine-2,4-dione

6-ethenyl-3-[(4-methoxycyclohexyl)methyl]-1-methyl-5-(methylideneamino)pyrimidine-2,4-dione (PubChem CID 134557401) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-ethenyl-3-[(4-methoxycyclohexyl)methyl]-1-methyl-5-(methylideneamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-ethenyl-3-[(4-methoxycyclohexyl)methyl]-1-methyl-5-(methylideneamino)pyrimidine-2,4-dione
PubChem CID134557401
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name6-ethenyl-3-[(4-methoxycyclohexyl)methyl]-1-methyl-5-(methylideneamino)pyrimidine-2,4-dione
SMILESC=Cc1c(N=C)c(=O)n(CC2CCC(OC)CC2)c(=O)n1C
InChIInChI=1S/C16H23N3O3/c1-5-13-14(17-2)15(20)19(16(21)18(13)3)10-11-6-8-12(22-4)9-7-11/h5,11-12H,1-2,6-10H2,3-4H3
InChIKeyTVWZHXLCFREDRB-UHFFFAOYSA-N
XLogP1.73
TPSA65.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-ethenyl-3-[(4-methoxycyclohexyl)methyl]-1-methyl-5-(methylideneamino)pyrimidine-2,4-dione with MolForge

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Related Compounds

3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione
CID 134557397
3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione
CID 90714195
1,3-bis(cyclopropylmethyl)-7,8-dimethylpurine-2,6-dione
CID 59057360
8-chloro-1-(cyclopropylmethyl)-3,7-dimethylpurine-2,6-dione
CID 153298083
8-amino-1,3-bis(cyclopropylmethyl)-7-methylpurine-2,6-dione
CID 10039809
1-(cyclopropylmethyl)-3,7-dimethyl-8-methylsulfanylpurine-2,6-dione
CID 153298197
(4-methoxycyclohexyl)methyl methanesulfonate;bis(3-[(4-methoxycyclohexyl)methyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione);1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 162004796
5-amino-3-(cyclopropylmethyl)-1-propylpyrimidine-2,4-dione
CID 63800468
1-[(4-aminocyclohexyl)methyl]-3-methylbenzimidazol-2-one
CID 67339990
6-chloro-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione
CID 69197514
1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one
CID 115761324
8-chloro-1-(cyclopropylmethyl)-3-methyl-7H-purine-2,6-dione
CID 166290964

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-3-[(4-methoxycyclohexyl)methyl]-1-methyl-5-(methylideneamino)pyrimidine-2,4-dione?
The IUPAC name of 6-ethenyl-3-[(4-methoxycyclohexyl)methyl]-1-methyl-5-(methylideneamino)pyrimidine-2,4-dione (CID 134557401) is 6-ethenyl-3-[(4-methoxycyclohexyl)methyl]-1-methyl-5-(methylideneamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-ethenyl-3-[(4-methoxycyclohexyl)methyl]-1-methyl-5-(methylideneamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-ethenyl-3-[(4-methoxycyclohexyl)methyl]-1-methyl-5-(methylideneamino)pyrimidine-2,4-dione is C=Cc1c(N=C)c(=O)n(CC2CCC(OC)CC2)c(=O)n1C.
What is the InChIKey of 6-ethenyl-3-[(4-methoxycyclohexyl)methyl]-1-methyl-5-(methylideneamino)pyrimidine-2,4-dione?
The InChIKey is TVWZHXLCFREDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-5-13-14(17-2)15(20)19(16(21)18(13)3)10-11-6-8-12(22-4)9-7-11/h5,11-12H,1-2,6-10H2,3-4H3.
What are the key properties of 6-ethenyl-3-[(4-methoxycyclohexyl)methyl]-1-methyl-5-(methylideneamino)pyrimidine-2,4-dione?
6-ethenyl-3-[(4-methoxycyclohexyl)methyl]-1-methyl-5-(methylideneamino)pyrimidine-2,4-dione has a molecular weight of 305.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3-[(4-methoxycyclohexyl)methyl]-1-methyl-5-(methylideneamino)pyrimidine-2,4-dione is sourced from PubChem (CID 134557401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).