6-amino-1,3-bis(2-cyclohexylethyl)pyrimidine-2,4-dione

C20H33N3O2 — CID 19071301

IUPAC6-amino-1,3-bis(2-cyclohexylethyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)n(CCC2CCCCC2)c(=O)n1CCC1CCCCC1
InChIInChI=1S/C20H33N3O2/c21-18-15-19(24)23(14-12-17-9-5-2-6-10-17)20(25)22(18)13-11-16-7-3-1-4-8-16/h15-17H,1-14,21H2
InChIKeyYCNARLGMCWIGMM-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.53
Rot. Bonds6

About 6-amino-1,3-bis(2-cyclohexylethyl)pyrimidine-2,4-dione

6-amino-1,3-bis(2-cyclohexylethyl)pyrimidine-2,4-dione (PubChem CID 19071301) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 6-amino-1,3-bis(2-cyclohexylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-bis(2-cyclohexylethyl)pyrimidine-2,4-dione
PubChem CID19071301
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name6-amino-1,3-bis(2-cyclohexylethyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)n(CCC2CCCCC2)c(=O)n1CCC1CCCCC1
InChIInChI=1S/C20H33N3O2/c21-18-15-19(24)23(14-12-17-9-5-2-6-10-17)20(25)22(18)13-11-16-7-3-1-4-8-16/h15-17H,1-14,21H2
InChIKeyYCNARLGMCWIGMM-UHFFFAOYSA-N
XLogP3.53
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-bis(2-cyclohexylethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-bis(2-cyclohexylethyl)pyrimidine-2,4-dione (CID 19071301) is 6-amino-1,3-bis(2-cyclohexylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-bis(2-cyclohexylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-bis(2-cyclohexylethyl)pyrimidine-2,4-dione is Nc1cc(=O)n(CCC2CCCCC2)c(=O)n1CCC1CCCCC1.
What is the InChIKey of 6-amino-1,3-bis(2-cyclohexylethyl)pyrimidine-2,4-dione?
The InChIKey is YCNARLGMCWIGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c21-18-15-19(24)23(14-12-17-9-5-2-6-10-17)20(25)22(18)13-11-16-7-3-1-4-8-16/h15-17H,1-14,21H2.
What are the key properties of 6-amino-1,3-bis(2-cyclohexylethyl)pyrimidine-2,4-dione?
6-amino-1,3-bis(2-cyclohexylethyl)pyrimidine-2,4-dione has a molecular weight of 347.50 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-bis(2-cyclohexylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 19071301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).