N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N,4-dimethyl-2-phenylpyrimidine-5-carboxamide

C19H23N3O2 — CID 56868098

IUPACN-[[1-(hydroxymethyl)cyclobutyl]methyl]-N,4-dimethyl-2-phenylpyrimidine-5-carboxamide
SMILESCc1nc(-c2ccccc2)ncc1C(=O)N(C)CC1(CO)CCC1
InChIInChI=1S/C19H23N3O2/c1-14-16(11-20-17(21-14)15-7-4-3-5-8-15)18(24)22(2)12-19(13-23)9-6-10-19/h3-5,7-8,11,23H,6,9-10,12-13H2,1-2H3
InChIKeyGFZFOOUEJNFNKK-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.69
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N,4-dimethyl-2-phenylpyrimidine-5-carboxamide

N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N,4-dimethyl-2-phenylpyrimidine-5-carboxamide (PubChem CID 56868098) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N,4-dimethyl-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclobutyl]methyl]-N,4-dimethyl-2-phenylpyrimidine-5-carboxamide
PubChem CID56868098
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[[1-(hydroxymethyl)cyclobutyl]methyl]-N,4-dimethyl-2-phenylpyrimidine-5-carboxamide
SMILESCc1nc(-c2ccccc2)ncc1C(=O)N(C)CC1(CO)CCC1
InChIInChI=1S/C19H23N3O2/c1-14-16(11-20-17(21-14)15-7-4-3-5-8-15)18(24)22(2)12-19(13-23)9-6-10-19/h3-5,7-8,11,23H,6,9-10,12-13H2,1-2H3
InChIKeyGFZFOOUEJNFNKK-UHFFFAOYSA-N
XLogP2.69
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N,4-dimethyl-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N,4-dimethyl-2-phenylpyrimidine-5-carboxamide (CID 56868098) is N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N,4-dimethyl-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N,4-dimethyl-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N,4-dimethyl-2-phenylpyrimidine-5-carboxamide is Cc1nc(-c2ccccc2)ncc1C(=O)N(C)CC1(CO)CCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N,4-dimethyl-2-phenylpyrimidine-5-carboxamide?
The InChIKey is GFZFOOUEJNFNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-16(11-20-17(21-14)15-7-4-3-5-8-15)18(24)22(2)12-19(13-23)9-6-10-19/h3-5,7-8,11,23H,6,9-10,12-13H2,1-2H3.
What are the key properties of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N,4-dimethyl-2-phenylpyrimidine-5-carboxamide?
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N,4-dimethyl-2-phenylpyrimidine-5-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N,4-dimethyl-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 56868098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).