5-chloro-N-cycloheptyl-2-(diethylamino)-N-methylpyrimidine-4-carboxamide

C17H27ClN4O — CID 71884999

IUPAC5-chloro-N-cycloheptyl-2-(diethylamino)-N-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1ncc(Cl)c(C(=O)N(C)C2CCCCCC2)n1
InChIInChI=1S/C17H27ClN4O/c1-4-22(5-2)17-19-12-14(18)15(20-17)16(23)21(3)13-10-8-6-7-9-11-13/h12-13H,4-11H2,1-3H3
InChIKeyKFRHABXQSDGGGM-UHFFFAOYSA-N
MW338.88 g/mol
LogP3.77
Rot. Bonds5

About 5-chloro-N-cycloheptyl-2-(diethylamino)-N-methylpyrimidine-4-carboxamide

5-chloro-N-cycloheptyl-2-(diethylamino)-N-methylpyrimidine-4-carboxamide (PubChem CID 71884999) has the molecular formula C17H27ClN4O and a molecular weight of 338.88 g/mol. Its IUPAC name is 5-chloro-N-cycloheptyl-2-(diethylamino)-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cycloheptyl-2-(diethylamino)-N-methylpyrimidine-4-carboxamide
PubChem CID71884999
Molecular FormulaC17H27ClN4O
Molecular Weight338.88 g/mol
Exact Mass338.19
IUPAC Name5-chloro-N-cycloheptyl-2-(diethylamino)-N-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1ncc(Cl)c(C(=O)N(C)C2CCCCCC2)n1
InChIInChI=1S/C17H27ClN4O/c1-4-22(5-2)17-19-12-14(18)15(20-17)16(23)21(3)13-10-8-6-7-9-11-13/h12-13H,4-11H2,1-3H3
InChIKeyKFRHABXQSDGGGM-UHFFFAOYSA-N
XLogP3.77
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cycloheptyl-2-(diethylamino)-N-methylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-cycloheptyl-2-(diethylamino)-N-methylpyrimidine-4-carboxamide (CID 71884999) is 5-chloro-N-cycloheptyl-2-(diethylamino)-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-cycloheptyl-2-(diethylamino)-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-cycloheptyl-2-(diethylamino)-N-methylpyrimidine-4-carboxamide is CCN(CC)c1ncc(Cl)c(C(=O)N(C)C2CCCCCC2)n1.
What is the InChIKey of 5-chloro-N-cycloheptyl-2-(diethylamino)-N-methylpyrimidine-4-carboxamide?
The InChIKey is KFRHABXQSDGGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN4O/c1-4-22(5-2)17-19-12-14(18)15(20-17)16(23)21(3)13-10-8-6-7-9-11-13/h12-13H,4-11H2,1-3H3.
What are the key properties of 5-chloro-N-cycloheptyl-2-(diethylamino)-N-methylpyrimidine-4-carboxamide?
5-chloro-N-cycloheptyl-2-(diethylamino)-N-methylpyrimidine-4-carboxamide has a molecular weight of 338.88 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cycloheptyl-2-(diethylamino)-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 71884999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).