N-(3-methylazetidin-3-yl)pyrimidine-4-carboxamide

C9H12N4O — CID 131196705

IUPACN-(3-methylazetidin-3-yl)pyrimidine-4-carboxamide
SMILESCC1(NC(=O)c2ccncn2)CNC1
InChIInChI=1S/C9H12N4O/c1-9(4-11-5-9)13-8(14)7-2-3-10-6-12-7/h2-3,6,11H,4-5H2,1H3,(H,13,14)
InChIKeyDPDKVVIDRLEMBY-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.43
Rot. Bonds2

About N-(3-methylazetidin-3-yl)pyrimidine-4-carboxamide

N-(3-methylazetidin-3-yl)pyrimidine-4-carboxamide (PubChem CID 131196705) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is N-(3-methylazetidin-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylazetidin-3-yl)pyrimidine-4-carboxamide
PubChem CID131196705
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC NameN-(3-methylazetidin-3-yl)pyrimidine-4-carboxamide
SMILESCC1(NC(=O)c2ccncn2)CNC1
InChIInChI=1S/C9H12N4O/c1-9(4-11-5-9)13-8(14)7-2-3-10-6-12-7/h2-3,6,11H,4-5H2,1H3,(H,13,14)
InChIKeyDPDKVVIDRLEMBY-UHFFFAOYSA-N
XLogP-0.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylazetidin-3-yl)pyridazine-4-carboxamide
CID 130913746
N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)pyrimidine-4-carboxamide
CID 170372579
2-chloro-N-(3-methylazetidin-3-yl)furan-3-carboxamide
CID 130944192
5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 107422979
N-(2-oxopropyl)pyrimidine-4-carboxamide
CID 89020208
N-propylpyrimidine-4-carboxamide
CID 89156251
6-methyl-N-[5-(pyrimidine-4-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 70498117
N-(2,2-difluorobutyl)pyrimidine-4-carboxamide
CID 90125008
N-(1-methylcyclobutyl)pyridine-2-carboxamide
CID 175814951
ethane;pyrimidine-4-carboxamide
CID 167507901
3-methyl-N-(3-methylazetidin-3-yl)thiophene-2-carboxamide
CID 130913749
(4-iodo-3,4,5-trimethylpiperidin-1-yl)-pyrimidin-4-ylmethanone
CID 167226848

Frequently Asked Questions

What is the IUPAC name of N-(3-methylazetidin-3-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-methylazetidin-3-yl)pyrimidine-4-carboxamide (CID 131196705) is N-(3-methylazetidin-3-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-methylazetidin-3-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-methylazetidin-3-yl)pyrimidine-4-carboxamide is CC1(NC(=O)c2ccncn2)CNC1.
What is the InChIKey of N-(3-methylazetidin-3-yl)pyrimidine-4-carboxamide?
The InChIKey is DPDKVVIDRLEMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-9(4-11-5-9)13-8(14)7-2-3-10-6-12-7/h2-3,6,11H,4-5H2,1H3,(H,13,14).
What are the key properties of N-(3-methylazetidin-3-yl)pyrimidine-4-carboxamide?
N-(3-methylazetidin-3-yl)pyrimidine-4-carboxamide has a molecular weight of 192.22 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylazetidin-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 131196705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).