6-chloro-N,N-dicyclohexylpyrimidine-4-carboxamide

C17H24ClN3O — CID 57383466

IUPAC6-chloro-N,N-dicyclohexylpyrimidine-4-carboxamide
SMILESO=C(c1cc(Cl)ncn1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H24ClN3O/c18-16-11-15(19-12-20-16)17(22)21(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h11-14H,1-10H2
InChIKeyRKJYZRKZKKNRON-UHFFFAOYSA-N
MW321.85 g/mol
LogP4.24
Rot. Bonds3

About 6-chloro-N,N-dicyclohexylpyrimidine-4-carboxamide

6-chloro-N,N-dicyclohexylpyrimidine-4-carboxamide (PubChem CID 57383466) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 6-chloro-N,N-dicyclohexylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N,N-dicyclohexylpyrimidine-4-carboxamide
PubChem CID57383466
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name6-chloro-N,N-dicyclohexylpyrimidine-4-carboxamide
SMILESO=C(c1cc(Cl)ncn1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H24ClN3O/c18-16-11-15(19-12-20-16)17(22)21(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h11-14H,1-10H2
InChIKeyRKJYZRKZKKNRON-UHFFFAOYSA-N
XLogP4.24
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dicyclohexylpyrimidine-4-carboxamide?
The IUPAC name of 6-chloro-N,N-dicyclohexylpyrimidine-4-carboxamide (CID 57383466) is 6-chloro-N,N-dicyclohexylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-chloro-N,N-dicyclohexylpyrimidine-4-carboxamide?
The canonical SMILES for 6-chloro-N,N-dicyclohexylpyrimidine-4-carboxamide is O=C(c1cc(Cl)ncn1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 6-chloro-N,N-dicyclohexylpyrimidine-4-carboxamide?
The InChIKey is RKJYZRKZKKNRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c18-16-11-15(19-12-20-16)17(22)21(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h11-14H,1-10H2.
What are the key properties of 6-chloro-N,N-dicyclohexylpyrimidine-4-carboxamide?
6-chloro-N,N-dicyclohexylpyrimidine-4-carboxamide has a molecular weight of 321.85 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dicyclohexylpyrimidine-4-carboxamide is sourced from PubChem (CID 57383466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).