N-(azetidin-3-ylmethyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C14H22N4O2 — CID 137132790

IUPACN-(azetidin-3-ylmethyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCC1CNC1
InChIInChI=1S/C14H22N4O2/c1-8-10(11(19)16-7-9-5-15-6-9)12(20)18-13(17-8)14(2,3)4/h9,15H,5-7H2,1-4H3,(H,16,19)(H,17,18,20)
InChIKeyNUOPXVXNXGPSQV-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.33
Rot. Bonds3

About N-(azetidin-3-ylmethyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-(azetidin-3-ylmethyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 137132790) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID137132790
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(azetidin-3-ylmethyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCC1CNC1
InChIInChI=1S/C14H22N4O2/c1-8-10(11(19)16-7-9-5-15-6-9)12(20)18-13(17-8)14(2,3)4/h9,15H,5-7H2,1-4H3,(H,16,19)(H,17,18,20)
InChIKeyNUOPXVXNXGPSQV-UHFFFAOYSA-N
XLogP0.33
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(azetidin-3-ylmethyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 137132790) is N-(azetidin-3-ylmethyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(azetidin-3-ylmethyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCC1CNC1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is NUOPXVXNXGPSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-8-10(11(19)16-7-9-5-15-6-9)12(20)18-13(17-8)14(2,3)4/h9,15H,5-7H2,1-4H3,(H,16,19)(H,17,18,20).
What are the key properties of N-(azetidin-3-ylmethyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-(azetidin-3-ylmethyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 137132790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).