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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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).