N-[2-[(5-chloro-2-methylpyrimidin-4-yl)amino]phenyl]-N-methylprop-2-enamide

C15H15ClN4O — CID 146516050

IUPACN-[2-[(5-chloro-2-methylpyrimidin-4-yl)amino]phenyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1ccccc1Nc1nc(C)ncc1Cl
InChIInChI=1S/C15H15ClN4O/c1-4-14(21)20(3)13-8-6-5-7-12(13)19-15-11(16)9-17-10(2)18-15/h4-9H,1H2,2-3H3,(H,17,18,19)
InChIKeyFFFIRDKTHPIFGB-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.33
Rot. Bonds4

About N-[2-[(5-chloro-2-methylpyrimidin-4-yl)amino]phenyl]-N-methylprop-2-enamide

N-[2-[(5-chloro-2-methylpyrimidin-4-yl)amino]phenyl]-N-methylprop-2-enamide (PubChem CID 146516050) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-methylpyrimidin-4-yl)amino]phenyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-methylpyrimidin-4-yl)amino]phenyl]-N-methylprop-2-enamide
PubChem CID146516050
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC NameN-[2-[(5-chloro-2-methylpyrimidin-4-yl)amino]phenyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1ccccc1Nc1nc(C)ncc1Cl
InChIInChI=1S/C15H15ClN4O/c1-4-14(21)20(3)13-8-6-5-7-12(13)19-15-11(16)9-17-10(2)18-15/h4-9H,1H2,2-3H3,(H,17,18,19)
InChIKeyFFFIRDKTHPIFGB-UHFFFAOYSA-N
XLogP3.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dichloropyrimidin-5-yl)-N-methylprop-2-enamide
CID 86617580
4-[[5-chloro-4-[2-[methyl(methylsulfonyl)amino]anilino]pyrimidin-2-yl]amino]benzoic acid
CID 168953985
2-[(5-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-methylbenzamide
CID 123279276
2-[(2,5-dichloropyrimidin-4-yl)amino]benzoic acid
CID 71501536
2,5-dichloro-N-(2-ethylsulfinylphenyl)pyrimidin-4-amine
CID 167216908
2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine
CID 167216736
N-[3-[[5-chloro-2-[4-fluoro-3-[methyl(prop-2-enoyl)amino]anilino]pyrimidin-4-yl]amino]propyl]-2,4,6-trifluorobenzamide
CID 118973555
5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 155665811
[2-[[5-chloro-2-[2-methyl-5-(prop-2-enoylamino)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxy-dimethylphosphanium
CID 71470478
N-[3-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]-N-[2-(dimethylamino)ethyl]prop-2-enamide
CID 90066246
2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane
CID 160740331
N-[[3-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]methyl]prop-2-enamide
CID 89261735

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-methylpyrimidin-4-yl)amino]phenyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2-[(5-chloro-2-methylpyrimidin-4-yl)amino]phenyl]-N-methylprop-2-enamide (CID 146516050) is N-[2-[(5-chloro-2-methylpyrimidin-4-yl)amino]phenyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2-[(5-chloro-2-methylpyrimidin-4-yl)amino]phenyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2-[(5-chloro-2-methylpyrimidin-4-yl)amino]phenyl]-N-methylprop-2-enamide is C=CC(=O)N(C)c1ccccc1Nc1nc(C)ncc1Cl.
What is the InChIKey of N-[2-[(5-chloro-2-methylpyrimidin-4-yl)amino]phenyl]-N-methylprop-2-enamide?
The InChIKey is FFFIRDKTHPIFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-4-14(21)20(3)13-8-6-5-7-12(13)19-15-11(16)9-17-10(2)18-15/h4-9H,1H2,2-3H3,(H,17,18,19).
What are the key properties of N-[2-[(5-chloro-2-methylpyrimidin-4-yl)amino]phenyl]-N-methylprop-2-enamide?
N-[2-[(5-chloro-2-methylpyrimidin-4-yl)amino]phenyl]-N-methylprop-2-enamide has a molecular weight of 302.77 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-methylpyrimidin-4-yl)amino]phenyl]-N-methylprop-2-enamide is sourced from PubChem (CID 146516050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).