N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-propylpyrimidine-5-carboxamide

C15H21N5O2 — CID 77089005

IUPACN-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)N(CCO)Cc1nccn1C
InChIInChI=1S/C15H21N5O2/c1-3-4-13-12(9-16-11-18-13)15(22)20(7-8-21)10-14-17-5-6-19(14)2/h5-6,9,11,21H,3-4,7-8,10H2,1-2H3
InChIKeyGWMIKTZTSZZIHG-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.80
Rot. Bonds7

About N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-propylpyrimidine-5-carboxamide

N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-propylpyrimidine-5-carboxamide (PubChem CID 77089005) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-propylpyrimidine-5-carboxamide
PubChem CID77089005
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)N(CCO)Cc1nccn1C
InChIInChI=1S/C15H21N5O2/c1-3-4-13-12(9-16-11-18-13)15(22)20(7-8-21)10-14-17-5-6-19(14)2/h5-6,9,11,21H,3-4,7-8,10H2,1-2H3
InChIKeyGWMIKTZTSZZIHG-UHFFFAOYSA-N
XLogP0.80
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-propylpyrimidine-5-carboxamide (CID 77089005) is N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-propylpyrimidine-5-carboxamide is CCCc1ncncc1C(=O)N(CCO)Cc1nccn1C.
What is the InChIKey of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-propylpyrimidine-5-carboxamide?
The InChIKey is GWMIKTZTSZZIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-3-4-13-12(9-16-11-18-13)15(22)20(7-8-21)10-14-17-5-6-19(14)2/h5-6,9,11,21H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-propylpyrimidine-5-carboxamide?
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-propylpyrimidine-5-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 77089005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).