1,3-dicyclohexyl-6-(methylamino)pyrimidine-2,4-dione

C17H27N3O2 — CID 822318

IUPAC1,3-dicyclohexyl-6-(methylamino)pyrimidine-2,4-dione
SMILESCNc1cc(=O)n(C2CCCCC2)c(=O)n1C1CCCCC1
InChIInChI=1S/C17H27N3O2/c1-18-15-12-16(21)20(14-10-6-3-7-11-14)17(22)19(15)13-8-4-2-5-9-13/h12-14,18H,2-11H2,1H3
InChIKeyQYOWYODKVOOOJF-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.06
Rot. Bonds3

About 1,3-dicyclohexyl-6-(methylamino)pyrimidine-2,4-dione

1,3-dicyclohexyl-6-(methylamino)pyrimidine-2,4-dione (PubChem CID 822318) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1,3-dicyclohexyl-6-(methylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dicyclohexyl-6-(methylamino)pyrimidine-2,4-dione
PubChem CID822318
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1,3-dicyclohexyl-6-(methylamino)pyrimidine-2,4-dione
SMILESCNc1cc(=O)n(C2CCCCC2)c(=O)n1C1CCCCC1
InChIInChI=1S/C17H27N3O2/c1-18-15-12-16(21)20(14-10-6-3-7-11-14)17(22)19(15)13-8-4-2-5-9-13/h12-14,18H,2-11H2,1H3
InChIKeyQYOWYODKVOOOJF-UHFFFAOYSA-N
XLogP3.06
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-6-(methylamino)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dicyclohexyl-6-(methylamino)pyrimidine-2,4-dione (CID 822318) is 1,3-dicyclohexyl-6-(methylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dicyclohexyl-6-(methylamino)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dicyclohexyl-6-(methylamino)pyrimidine-2,4-dione is CNc1cc(=O)n(C2CCCCC2)c(=O)n1C1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-6-(methylamino)pyrimidine-2,4-dione?
The InChIKey is QYOWYODKVOOOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-18-15-12-16(21)20(14-10-6-3-7-11-14)17(22)19(15)13-8-4-2-5-9-13/h12-14,18H,2-11H2,1H3.
What are the key properties of 1,3-dicyclohexyl-6-(methylamino)pyrimidine-2,4-dione?
1,3-dicyclohexyl-6-(methylamino)pyrimidine-2,4-dione has a molecular weight of 305.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-6-(methylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 822318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).