N-[2-[(6-aminopyrimidin-4-yl)amino]-3-methylphenyl]prop-2-enamide

C14H15N5O — CID 118029225

IUPACN-[2-[(6-aminopyrimidin-4-yl)amino]-3-methylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(C)c1Nc1cc(N)ncn1
InChIInChI=1S/C14H15N5O/c1-3-13(20)18-10-6-4-5-9(2)14(10)19-12-7-11(15)16-8-17-12/h3-8H,1H2,2H3,(H,18,20)(H3,15,16,17,19)
InChIKeyVABPLOOMJJLJEM-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.24
Rot. Bonds4

About N-[2-[(6-aminopyrimidin-4-yl)amino]-3-methylphenyl]prop-2-enamide

N-[2-[(6-aminopyrimidin-4-yl)amino]-3-methylphenyl]prop-2-enamide (PubChem CID 118029225) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[2-[(6-aminopyrimidin-4-yl)amino]-3-methylphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[(6-aminopyrimidin-4-yl)amino]-3-methylphenyl]prop-2-enamide
PubChem CID118029225
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-[2-[(6-aminopyrimidin-4-yl)amino]-3-methylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(C)c1Nc1cc(N)ncn1
InChIInChI=1S/C14H15N5O/c1-3-13(20)18-10-6-4-5-9(2)14(10)19-12-7-11(15)16-8-17-12/h3-8H,1H2,2H3,(H,18,20)(H3,15,16,17,19)
InChIKeyVABPLOOMJJLJEM-UHFFFAOYSA-N
XLogP2.24
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[3-amino-2-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[2,3-c]pyridin-5-yl]amino]-3-methylphenyl]prop-2-enamide
CID 148640236
N-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[2-methyl-6-(prop-2-enoylamino)anilino]-[1,3]oxazolo[5,4-c]pyridine-2-carboxamide
CID 155058518
N-(3-methyl-2-propan-2-ylphenyl)prop-2-enamide
CID 177272489
N-[2-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-oxo-3H-pyrido[3,4-d]pyrimidin-6-yl]amino]-3-methylphenyl]prop-2-enamide
CID 137289318
N-(2-hydroxyethyl)-4-[2-methyl-6-(prop-2-enoylamino)anilino]thieno[3,2-d]pyrimidine-7-carboxamide
CID 134540283
N-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109357083
2,6-dichloro-3,5-dimethoxy-N-[2-[2-methyl-6-(prop-2-enoylamino)anilino]pyrimidin-5-yl]benzamide
CID 134457615
N-[2-[[6-[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl-methylamino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 118029325
N-[2-[[5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-1-fluoroethenyl]pyrimidin-2-yl]amino]-3-methylphenyl]prop-2-enamide
CID 142350992
4-N-(2-methyl-3-pyridinyl)pyrimidine-4,6-diamine
CID 114561921
N-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109357114
N-[2-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]amino]-3-methylphenyl]prop-2-enamide
CID 151893556

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-aminopyrimidin-4-yl)amino]-3-methylphenyl]prop-2-enamide?
The IUPAC name of N-[2-[(6-aminopyrimidin-4-yl)amino]-3-methylphenyl]prop-2-enamide (CID 118029225) is N-[2-[(6-aminopyrimidin-4-yl)amino]-3-methylphenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[(6-aminopyrimidin-4-yl)amino]-3-methylphenyl]prop-2-enamide?
The canonical SMILES for N-[2-[(6-aminopyrimidin-4-yl)amino]-3-methylphenyl]prop-2-enamide is C=CC(=O)Nc1cccc(C)c1Nc1cc(N)ncn1.
What is the InChIKey of N-[2-[(6-aminopyrimidin-4-yl)amino]-3-methylphenyl]prop-2-enamide?
The InChIKey is VABPLOOMJJLJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-3-13(20)18-10-6-4-5-9(2)14(10)19-12-7-11(15)16-8-17-12/h3-8H,1H2,2H3,(H,18,20)(H3,15,16,17,19).
What are the key properties of N-[2-[(6-aminopyrimidin-4-yl)amino]-3-methylphenyl]prop-2-enamide?
N-[2-[(6-aminopyrimidin-4-yl)amino]-3-methylphenyl]prop-2-enamide has a molecular weight of 269.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-aminopyrimidin-4-yl)amino]-3-methylphenyl]prop-2-enamide is sourced from PubChem (CID 118029225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).