5-[bis(prop-2-enyl)amino]-3-cyclohexyl-1,6-dimethylpyrimidine-2,4-dione

C18H27N3O2 — CID 3063962

IUPAC5-[bis(prop-2-enyl)amino]-3-cyclohexyl-1,6-dimethylpyrimidine-2,4-dione
SMILESC=CCN(CC=C)c1c(C)n(C)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C18H27N3O2/c1-5-12-20(13-6-2)16-14(3)19(4)18(23)21(17(16)22)15-10-8-7-9-11-15/h5-6,15H,1-2,7-13H2,3-4H3
InChIKeyVKCBSYASCAEHOF-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.54
Rot. Bonds6

About 5-[bis(prop-2-enyl)amino]-3-cyclohexyl-1,6-dimethylpyrimidine-2,4-dione

5-[bis(prop-2-enyl)amino]-3-cyclohexyl-1,6-dimethylpyrimidine-2,4-dione (PubChem CID 3063962) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 5-[bis(prop-2-enyl)amino]-3-cyclohexyl-1,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[bis(prop-2-enyl)amino]-3-cyclohexyl-1,6-dimethylpyrimidine-2,4-dione
PubChem CID3063962
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name5-[bis(prop-2-enyl)amino]-3-cyclohexyl-1,6-dimethylpyrimidine-2,4-dione
SMILESC=CCN(CC=C)c1c(C)n(C)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C18H27N3O2/c1-5-12-20(13-6-2)16-14(3)19(4)18(23)21(17(16)22)15-10-8-7-9-11-15/h5-6,15H,1-2,7-13H2,3-4H3
InChIKeyVKCBSYASCAEHOF-UHFFFAOYSA-N
XLogP2.54
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Uracil, 3-cyclohexyl-1,6-dimethyl-
CID 202192
1-(2-azepan-1-yl-2-oxoethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione
CID 717800
N-(3-Cyclohexyl-1,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-(dimethylamino)ethanimidic acid--hydrogen bromide (1/1)
CID 57294
Uracil, 3-cyclohexyl-1,6-dimethyl-5-dimethylamino-
CID 116088
Uracil, 3-cyclopentyl-1,6-dimethyl-5-dimethylamino-
CID 208420
Uracil, 1-cyclohexyl-5-(dimethylamino)-6-methyl-
CID 208421
Uracil, 1-cyclohexyl-3,6-dimethyl-5-dimethylamino-
CID 208422
2,4(1H,3H)-Pyrimidinedione, 1-cyclohexyl-3,6-dimethyl-5-(1-piperidinyl)-
CID 208423
Uracil, 1-cyclopentyl-3,6-dimethyl-5-dimethylamino-
CID 208424
2,4(1H,3H)-Pyrimidinedione, 1-cyclohexyl-3,6-dimethyl-5-(1-pyrrolidinyl)-
CID 208451
Uracil, 3-cyclohexyl-5-(dimethylamino)-1-methyl-
CID 3041247
Uracil, 3-cyclohexyl-5-(diethylamino)-1,6-dimethyl-
CID 3063686

Frequently Asked Questions

What is the IUPAC name of 5-[bis(prop-2-enyl)amino]-3-cyclohexyl-1,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[bis(prop-2-enyl)amino]-3-cyclohexyl-1,6-dimethylpyrimidine-2,4-dione (CID 3063962) is 5-[bis(prop-2-enyl)amino]-3-cyclohexyl-1,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[bis(prop-2-enyl)amino]-3-cyclohexyl-1,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[bis(prop-2-enyl)amino]-3-cyclohexyl-1,6-dimethylpyrimidine-2,4-dione is C=CCN(CC=C)c1c(C)n(C)c(=O)n(C2CCCCC2)c1=O.
What is the InChIKey of 5-[bis(prop-2-enyl)amino]-3-cyclohexyl-1,6-dimethylpyrimidine-2,4-dione?
The InChIKey is VKCBSYASCAEHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-5-12-20(13-6-2)16-14(3)19(4)18(23)21(17(16)22)15-10-8-7-9-11-15/h5-6,15H,1-2,7-13H2,3-4H3.
What are the key properties of 5-[bis(prop-2-enyl)amino]-3-cyclohexyl-1,6-dimethylpyrimidine-2,4-dione?
5-[bis(prop-2-enyl)amino]-3-cyclohexyl-1,6-dimethylpyrimidine-2,4-dione has a molecular weight of 317.43 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(prop-2-enyl)amino]-3-cyclohexyl-1,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 3063962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).