6-[[cyclohexyl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C14H23N3O2 — CID 16580694

IUPAC6-[[cyclohexyl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(Cc1cc(=O)n(C)c(=O)n1C)C1CCCCC1
InChIInChI=1S/C14H23N3O2/c1-15(11-7-5-4-6-8-11)10-12-9-13(18)17(3)14(19)16(12)2/h9,11H,4-8,10H2,1-3H3
InChIKeyPDGUPTQJXNWYTF-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.85
Rot. Bonds3

About 6-[[cyclohexyl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[cyclohexyl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 16580694) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-[[cyclohexyl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[cyclohexyl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID16580694
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name6-[[cyclohexyl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(Cc1cc(=O)n(C)c(=O)n1C)C1CCCCC1
InChIInChI=1S/C14H23N3O2/c1-15(11-7-5-4-6-8-11)10-12-9-13(18)17(3)14(19)16(12)2/h9,11H,4-8,10H2,1-3H3
InChIKeyPDGUPTQJXNWYTF-UHFFFAOYSA-N
XLogP0.85
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[[cyclohexyl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

Uracil, 3-cyclohexyl-1,6-dimethyl-5-dimethylamino-
CID 116088
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
2,4(1H,3H)-Pyrimidinedione, 1-cyclohexyl-3,6-dimethyl-5-(1-pyrrolidinyl)-
CID 208451
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
Uracil, 3-cyclohexyl-5-(dimethylamino)-1-methyl-
CID 3041247
Uracil, 3-cyclohexyl-5-(diethylamino)-1,6-dimethyl-
CID 3063686
Uracil, 3-cyclohexyl-5-(diallylamino)-1,6-dimethyl-
CID 3063962
Uracil, 3-cyclohexyl-1,6-dimethyl-5-(ethylmethylamino)-
CID 21149960
3,6-Dimethyl-1-(5-pyrrolidinylpentyl)-1,3-dihydropyrimidine-2,4-dione
CID 655968

Frequently Asked Questions

What is the IUPAC name of 6-[[cyclohexyl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[cyclohexyl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 16580694) is 6-[[cyclohexyl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[cyclohexyl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[cyclohexyl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is CN(Cc1cc(=O)n(C)c(=O)n1C)C1CCCCC1.
What is the InChIKey of 6-[[cyclohexyl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is PDGUPTQJXNWYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-15(11-7-5-4-6-8-11)10-12-9-13(18)17(3)14(19)16(12)2/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 6-[[cyclohexyl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[cyclohexyl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 265.36 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclohexyl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 16580694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).