4-[2-(methylamino)pyrimidin-5-yl]but-3-enamide

C9H12N4O — CID 170797688

IUPAC4-[2-(methylamino)pyrimidin-5-yl]but-3-enamide
SMILESCNc1ncc(C=CCC(N)=O)cn1
InChIInChI=1S/C9H12N4O/c1-11-9-12-5-7(6-13-9)3-2-4-8(10)14/h2-3,5-6H,4H2,1H3,(H2,10,14)(H,11,12,13)
InChIKeyLKPYQGSEHZBWMN-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.41
Rot. Bonds4

About 4-[2-(methylamino)pyrimidin-5-yl]but-3-enamide

4-[2-(methylamino)pyrimidin-5-yl]but-3-enamide (PubChem CID 170797688) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-[2-(methylamino)pyrimidin-5-yl]but-3-enamide.

Molecular Properties

Compound Name4-[2-(methylamino)pyrimidin-5-yl]but-3-enamide
PubChem CID170797688
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name4-[2-(methylamino)pyrimidin-5-yl]but-3-enamide
SMILESCNc1ncc(C=CCC(N)=O)cn1
InChIInChI=1S/C9H12N4O/c1-11-9-12-5-7(6-13-9)3-2-4-8(10)14/h2-3,5-6H,4H2,1H3,(H2,10,14)(H,11,12,13)
InChIKeyLKPYQGSEHZBWMN-UHFFFAOYSA-N
XLogP0.41
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169465232
S-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl] ethanethioate
CID 169456990
3-[2-(methylamino)pyrimidin-5-yl]prop-2-enoic acid
CID 53395808
4-(6-chloro-3-pyridinyl)but-3-enamide
CID 170797349
4-(1-methylpyrazol-4-yl)but-3-enamide
CID 170797292
4-(3,5-dimethylphenyl)but-3-enamide
CID 170797430
4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide
CID 170797876
4-(2,6-dichloro-4-pyridinyl)but-3-enamide
CID 170798983
(E)-4-pyridin-3-ylbut-3-enamide
CID 141387555
4-(5-formyl-3-pyridinyl)but-3-enamide
CID 170797651
4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide
CID 170797595
4-(2-methyl-1H-imidazol-5-yl)but-3-enamide
CID 170797295

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)pyrimidin-5-yl]but-3-enamide?
The IUPAC name of 4-[2-(methylamino)pyrimidin-5-yl]but-3-enamide (CID 170797688) is 4-[2-(methylamino)pyrimidin-5-yl]but-3-enamide.
What is the SMILES notation for 4-[2-(methylamino)pyrimidin-5-yl]but-3-enamide?
The canonical SMILES for 4-[2-(methylamino)pyrimidin-5-yl]but-3-enamide is CNc1ncc(C=CCC(N)=O)cn1.
What is the InChIKey of 4-[2-(methylamino)pyrimidin-5-yl]but-3-enamide?
The InChIKey is LKPYQGSEHZBWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-11-9-12-5-7(6-13-9)3-2-4-8(10)14/h2-3,5-6H,4H2,1H3,(H2,10,14)(H,11,12,13).
What are the key properties of 4-[2-(methylamino)pyrimidin-5-yl]but-3-enamide?
4-[2-(methylamino)pyrimidin-5-yl]but-3-enamide has a molecular weight of 192.22 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)pyrimidin-5-yl]but-3-enamide is sourced from PubChem (CID 170797688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).