5-chloro-2-(diethylamino)-N-(4-hydroxycyclohexyl)pyrimidine-4-carboxamide

C15H23ClN4O2 — CID 75361548

IUPAC5-chloro-2-(diethylamino)-N-(4-hydroxycyclohexyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1ncc(Cl)c(C(=O)NC2CCC(O)CC2)n1
InChIInChI=1S/C15H23ClN4O2/c1-3-20(4-2)15-17-9-12(16)13(19-15)14(22)18-10-5-7-11(21)8-6-10/h9-11,21H,3-8H2,1-2H3,(H,18,22)
InChIKeyWVKRFYFCIBJZPK-UHFFFAOYSA-N
MW326.83 g/mol
LogP2.01
Rot. Bonds5

About 5-chloro-2-(diethylamino)-N-(4-hydroxycyclohexyl)pyrimidine-4-carboxamide

5-chloro-2-(diethylamino)-N-(4-hydroxycyclohexyl)pyrimidine-4-carboxamide (PubChem CID 75361548) has the molecular formula C15H23ClN4O2 and a molecular weight of 326.83 g/mol. Its IUPAC name is 5-chloro-2-(diethylamino)-N-(4-hydroxycyclohexyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(diethylamino)-N-(4-hydroxycyclohexyl)pyrimidine-4-carboxamide
PubChem CID75361548
Molecular FormulaC15H23ClN4O2
Molecular Weight326.83 g/mol
Exact Mass326.15
IUPAC Name5-chloro-2-(diethylamino)-N-(4-hydroxycyclohexyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1ncc(Cl)c(C(=O)NC2CCC(O)CC2)n1
InChIInChI=1S/C15H23ClN4O2/c1-3-20(4-2)15-17-9-12(16)13(19-15)14(22)18-10-5-7-11(21)8-6-10/h9-11,21H,3-8H2,1-2H3,(H,18,22)
InChIKeyWVKRFYFCIBJZPK-UHFFFAOYSA-N
XLogP2.01
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(diethylamino)-N-(4-hydroxycyclohexyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-(diethylamino)-N-(4-hydroxycyclohexyl)pyrimidine-4-carboxamide (CID 75361548) is 5-chloro-2-(diethylamino)-N-(4-hydroxycyclohexyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(diethylamino)-N-(4-hydroxycyclohexyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(diethylamino)-N-(4-hydroxycyclohexyl)pyrimidine-4-carboxamide is CCN(CC)c1ncc(Cl)c(C(=O)NC2CCC(O)CC2)n1.
What is the InChIKey of 5-chloro-2-(diethylamino)-N-(4-hydroxycyclohexyl)pyrimidine-4-carboxamide?
The InChIKey is WVKRFYFCIBJZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O2/c1-3-20(4-2)15-17-9-12(16)13(19-15)14(22)18-10-5-7-11(21)8-6-10/h9-11,21H,3-8H2,1-2H3,(H,18,22).
What are the key properties of 5-chloro-2-(diethylamino)-N-(4-hydroxycyclohexyl)pyrimidine-4-carboxamide?
5-chloro-2-(diethylamino)-N-(4-hydroxycyclohexyl)pyrimidine-4-carboxamide has a molecular weight of 326.83 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(diethylamino)-N-(4-hydroxycyclohexyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 75361548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).