N-methyl-3-[(6-methylpyrimidin-4-yl)amino]azetidine-1-carboxamide

C10H15N5O — CID 118553740

IUPACN-methyl-3-[(6-methylpyrimidin-4-yl)amino]azetidine-1-carboxamide
SMILESCNC(=O)N1CC(Nc2cc(C)ncn2)C1
InChIInChI=1S/C10H15N5O/c1-7-3-9(13-6-12-7)14-8-4-15(5-8)10(16)11-2/h3,6,8H,4-5H2,1-2H3,(H,11,16)(H,12,13,14)
InChIKeyNWNHJHLPZHECIC-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.22
Rot. Bonds2

About N-methyl-3-[(6-methylpyrimidin-4-yl)amino]azetidine-1-carboxamide

N-methyl-3-[(6-methylpyrimidin-4-yl)amino]azetidine-1-carboxamide (PubChem CID 118553740) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is N-methyl-3-[(6-methylpyrimidin-4-yl)amino]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[(6-methylpyrimidin-4-yl)amino]azetidine-1-carboxamide
PubChem CID118553740
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC NameN-methyl-3-[(6-methylpyrimidin-4-yl)amino]azetidine-1-carboxamide
SMILESCNC(=O)N1CC(Nc2cc(C)ncn2)C1
InChIInChI=1S/C10H15N5O/c1-7-3-9(13-6-12-7)14-8-4-15(5-8)10(16)11-2/h3,6,8H,4-5H2,1-2H3,(H,11,16)(H,12,13,14)
InChIKeyNWNHJHLPZHECIC-UHFFFAOYSA-N
XLogP0.22
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
N-[1-(2,2-difluoro-2-phosphanylethyl)azetidin-3-yl]-6-methylpyrimidin-4-amine
CID 170045205
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone
CID 126887514
6-[(1-methylazetidin-3-yl)amino]pyrimidine-4-carboxylic acid
CID 131142279
N-(3,5-dimethylcyclohexyl)-6-methylpyrimidin-4-amine
CID 64723771
cis-(1R,3S)-3-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol
CID 130643849
N-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]acetamide
CID 90245746
1H-imidazol-5-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887552
(2-methylpyrazol-3-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887582
N-[4-[[3-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide
CID 171996910
N-[1-(2,2-dimethylpropyl)piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 171994731
6-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126887868

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(6-methylpyrimidin-4-yl)amino]azetidine-1-carboxamide?
The IUPAC name of N-methyl-3-[(6-methylpyrimidin-4-yl)amino]azetidine-1-carboxamide (CID 118553740) is N-methyl-3-[(6-methylpyrimidin-4-yl)amino]azetidine-1-carboxamide.
What is the SMILES notation for N-methyl-3-[(6-methylpyrimidin-4-yl)amino]azetidine-1-carboxamide?
The canonical SMILES for N-methyl-3-[(6-methylpyrimidin-4-yl)amino]azetidine-1-carboxamide is CNC(=O)N1CC(Nc2cc(C)ncn2)C1.
What is the InChIKey of N-methyl-3-[(6-methylpyrimidin-4-yl)amino]azetidine-1-carboxamide?
The InChIKey is NWNHJHLPZHECIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-7-3-9(13-6-12-7)14-8-4-15(5-8)10(16)11-2/h3,6,8H,4-5H2,1-2H3,(H,11,16)(H,12,13,14).
What are the key properties of N-methyl-3-[(6-methylpyrimidin-4-yl)amino]azetidine-1-carboxamide?
N-methyl-3-[(6-methylpyrimidin-4-yl)amino]azetidine-1-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(6-methylpyrimidin-4-yl)amino]azetidine-1-carboxamide is sourced from PubChem (CID 118553740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).