2-[butyl(methyl)amino]-5-chloro-N-(2-imidazol-1-ylethyl)pyrimidine-4-carboxamide

C15H21ClN6O — CID 47061765

IUPAC2-[butyl(methyl)amino]-5-chloro-N-(2-imidazol-1-ylethyl)pyrimidine-4-carboxamide
SMILESCCCCN(C)c1ncc(Cl)c(C(=O)NCCn2ccnc2)n1
InChIInChI=1S/C15H21ClN6O/c1-3-4-7-21(2)15-19-10-12(16)13(20-15)14(23)18-6-9-22-8-5-17-11-22/h5,8,10-11H,3-4,6-7,9H2,1-2H3,(H,18,23)
InChIKeyJWOFYZHNAYAMGV-UHFFFAOYSA-N
MW336.83 g/mol
LogP1.99
Rot. Bonds8

About 2-[butyl(methyl)amino]-5-chloro-N-(2-imidazol-1-ylethyl)pyrimidine-4-carboxamide

2-[butyl(methyl)amino]-5-chloro-N-(2-imidazol-1-ylethyl)pyrimidine-4-carboxamide (PubChem CID 47061765) has the molecular formula C15H21ClN6O and a molecular weight of 336.83 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-5-chloro-N-(2-imidazol-1-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-5-chloro-N-(2-imidazol-1-ylethyl)pyrimidine-4-carboxamide
PubChem CID47061765
Molecular FormulaC15H21ClN6O
Molecular Weight336.83 g/mol
Exact Mass336.15
IUPAC Name2-[butyl(methyl)amino]-5-chloro-N-(2-imidazol-1-ylethyl)pyrimidine-4-carboxamide
SMILESCCCCN(C)c1ncc(Cl)c(C(=O)NCCn2ccnc2)n1
InChIInChI=1S/C15H21ClN6O/c1-3-4-7-21(2)15-19-10-12(16)13(20-15)14(23)18-6-9-22-8-5-17-11-22/h5,8,10-11H,3-4,6-7,9H2,1-2H3,(H,18,23)
InChIKeyJWOFYZHNAYAMGV-UHFFFAOYSA-N
XLogP1.99
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-5-chloro-N-(2-imidazol-1-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[butyl(methyl)amino]-5-chloro-N-(2-imidazol-1-ylethyl)pyrimidine-4-carboxamide (CID 47061765) is 2-[butyl(methyl)amino]-5-chloro-N-(2-imidazol-1-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-5-chloro-N-(2-imidazol-1-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[butyl(methyl)amino]-5-chloro-N-(2-imidazol-1-ylethyl)pyrimidine-4-carboxamide is CCCCN(C)c1ncc(Cl)c(C(=O)NCCn2ccnc2)n1.
What is the InChIKey of 2-[butyl(methyl)amino]-5-chloro-N-(2-imidazol-1-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is JWOFYZHNAYAMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN6O/c1-3-4-7-21(2)15-19-10-12(16)13(20-15)14(23)18-6-9-22-8-5-17-11-22/h5,8,10-11H,3-4,6-7,9H2,1-2H3,(H,18,23).
What are the key properties of 2-[butyl(methyl)amino]-5-chloro-N-(2-imidazol-1-ylethyl)pyrimidine-4-carboxamide?
2-[butyl(methyl)amino]-5-chloro-N-(2-imidazol-1-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 336.83 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-5-chloro-N-(2-imidazol-1-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 47061765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).