2-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrimidine-5-carboxamide

C15H21N3O2 — CID 74234452

IUPAC2-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrimidine-5-carboxamide
SMILESCN(CC1(CO)CCC1)C(=O)c1cnc(C2CC2)nc1
InChIInChI=1S/C15H21N3O2/c1-18(9-15(10-19)5-2-6-15)14(20)12-7-16-13(17-8-12)11-3-4-11/h7-8,11,19H,2-6,9-10H2,1H3
InChIKeyQZQVATHKNPFKOT-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.59
Rot. Bonds5

About 2-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrimidine-5-carboxamide

2-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrimidine-5-carboxamide (PubChem CID 74234452) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrimidine-5-carboxamide
PubChem CID74234452
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrimidine-5-carboxamide
SMILESCN(CC1(CO)CCC1)C(=O)c1cnc(C2CC2)nc1
InChIInChI=1S/C15H21N3O2/c1-18(9-15(10-19)5-2-6-15)14(20)12-7-16-13(17-8-12)11-3-4-11/h7-8,11,19H,2-6,9-10H2,1H3
InChIKeyQZQVATHKNPFKOT-UHFFFAOYSA-N
XLogP1.59
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrimidine-5-carboxamide (CID 74234452) is 2-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrimidine-5-carboxamide is CN(CC1(CO)CCC1)C(=O)c1cnc(C2CC2)nc1.
What is the InChIKey of 2-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrimidine-5-carboxamide?
The InChIKey is QZQVATHKNPFKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18(9-15(10-19)5-2-6-15)14(20)12-7-16-13(17-8-12)11-3-4-11/h7-8,11,19H,2-6,9-10H2,1H3.
What are the key properties of 2-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrimidine-5-carboxamide?
2-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrimidine-5-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 74234452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).