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

C18H29N3O2 — CID 22244971

IUPAC6-amino-1,3-bis(cyclohexylmethyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)n(CC2CCCCC2)c(=O)n1CC1CCCCC1
InChIInChI=1S/C18H29N3O2/c19-16-11-17(22)21(13-15-9-5-2-6-10-15)18(23)20(16)12-14-7-3-1-4-8-14/h11,14-15H,1-10,12-13,19H2
InChIKeySKYWUTJNPCCSDO-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.75
Rot. Bonds4

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

6-amino-1,3-bis(cyclohexylmethyl)pyrimidine-2,4-dione (PubChem CID 22244971) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 6-amino-1,3-bis(cyclohexylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-bis(cyclohexylmethyl)pyrimidine-2,4-dione
PubChem CID22244971
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name6-amino-1,3-bis(cyclohexylmethyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)n(CC2CCCCC2)c(=O)n1CC1CCCCC1
InChIInChI=1S/C18H29N3O2/c19-16-11-17(22)21(13-15-9-5-2-6-10-15)18(23)20(16)12-14-7-3-1-4-8-14/h11,14-15H,1-10,12-13,19H2
InChIKeySKYWUTJNPCCSDO-UHFFFAOYSA-N
XLogP2.75
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.75
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(cyclohexylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-bis(cyclohexylmethyl)pyrimidine-2,4-dione (CID 22244971) is 6-amino-1,3-bis(cyclohexylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-bis(cyclohexylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-bis(cyclohexylmethyl)pyrimidine-2,4-dione is Nc1cc(=O)n(CC2CCCCC2)c(=O)n1CC1CCCCC1.
What is the InChIKey of 6-amino-1,3-bis(cyclohexylmethyl)pyrimidine-2,4-dione?
The InChIKey is SKYWUTJNPCCSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c19-16-11-17(22)21(13-15-9-5-2-6-10-15)18(23)20(16)12-14-7-3-1-4-8-14/h11,14-15H,1-10,12-13,19H2.
What are the key properties of 6-amino-1,3-bis(cyclohexylmethyl)pyrimidine-2,4-dione?
6-amino-1,3-bis(cyclohexylmethyl)pyrimidine-2,4-dione has a molecular weight of 319.45 g/mol, XLogP of 2.75, 4 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(cyclohexylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 22244971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).