2,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-4-carboxamide

C15H21N5O — CID 50983198

IUPAC2,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-4-carboxamide
SMILESCCCN(Cc1nccn1C)C(=O)c1cc(C)nc(C)n1
InChIInChI=1S/C15H21N5O/c1-5-7-20(10-14-16-6-8-19(14)4)15(21)13-9-11(2)17-12(3)18-13/h6,8-9H,5,7,10H2,1-4H3
InChIKeyXVRXMWKUSMYLTB-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.88
Rot. Bonds5

About 2,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-4-carboxamide

2,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-4-carboxamide (PubChem CID 50983198) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-4-carboxamide
PubChem CID50983198
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-4-carboxamide
SMILESCCCN(Cc1nccn1C)C(=O)c1cc(C)nc(C)n1
InChIInChI=1S/C15H21N5O/c1-5-7-20(10-14-16-6-8-19(14)4)15(21)13-9-11(2)17-12(3)18-13/h6,8-9H,5,7,10H2,1-4H3
InChIKeyXVRXMWKUSMYLTB-UHFFFAOYSA-N
XLogP1.88
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-4-carboxamide (CID 50983198) is 2,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-4-carboxamide is CCCN(Cc1nccn1C)C(=O)c1cc(C)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-4-carboxamide?
The InChIKey is XVRXMWKUSMYLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-5-7-20(10-14-16-6-8-19(14)4)15(21)13-9-11(2)17-12(3)18-13/h6,8-9H,5,7,10H2,1-4H3.
What are the key properties of 2,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-4-carboxamide?
2,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-4-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 50983198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).