N-tert-butyl-2-[(2-oxocyclobutyl)methyl]pyrimidine-5-carboxamide

C14H19N3O2 — CID 161446717

IUPACN-tert-butyl-2-[(2-oxocyclobutyl)methyl]pyrimidine-5-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(CC2CCC2=O)nc1
InChIInChI=1S/C14H19N3O2/c1-14(2,3)17-13(19)10-7-15-12(16-8-10)6-9-4-5-11(9)18/h7-9H,4-6H2,1-3H3,(H,17,19)
InChIKeyLOCNFQPIMHIOEY-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.53
Rot. Bonds3

About N-tert-butyl-2-[(2-oxocyclobutyl)methyl]pyrimidine-5-carboxamide

N-tert-butyl-2-[(2-oxocyclobutyl)methyl]pyrimidine-5-carboxamide (PubChem CID 161446717) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-oxocyclobutyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-oxocyclobutyl)methyl]pyrimidine-5-carboxamide
PubChem CID161446717
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-tert-butyl-2-[(2-oxocyclobutyl)methyl]pyrimidine-5-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(CC2CCC2=O)nc1
InChIInChI=1S/C14H19N3O2/c1-14(2,3)17-13(19)10-7-15-12(16-8-10)6-9-4-5-11(9)18/h7-9H,4-6H2,1-3H3,(H,17,19)
InChIKeyLOCNFQPIMHIOEY-UHFFFAOYSA-N
XLogP1.53
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-oxocyclobutyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of N-tert-butyl-2-[(2-oxocyclobutyl)methyl]pyrimidine-5-carboxamide (CID 161446717) is N-tert-butyl-2-[(2-oxocyclobutyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[(2-oxocyclobutyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-tert-butyl-2-[(2-oxocyclobutyl)methyl]pyrimidine-5-carboxamide is CC(C)(C)NC(=O)c1cnc(CC2CCC2=O)nc1.
What is the InChIKey of N-tert-butyl-2-[(2-oxocyclobutyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is LOCNFQPIMHIOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,3)17-13(19)10-7-15-12(16-8-10)6-9-4-5-11(9)18/h7-9H,4-6H2,1-3H3,(H,17,19).
What are the key properties of N-tert-butyl-2-[(2-oxocyclobutyl)methyl]pyrimidine-5-carboxamide?
N-tert-butyl-2-[(2-oxocyclobutyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-oxocyclobutyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 161446717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).