N-[4-[(2-aminopyrimidin-4-yl)amino]-3-methylphenyl]acetamide;hydrochloride

C13H16ClN5O — CID 160584950

IUPACN-[4-[(2-aminopyrimidin-4-yl)amino]-3-methylphenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(Nc2ccnc(N)n2)c(C)c1.Cl
InChIInChI=1S/C13H15N5O.ClH/c1-8-7-10(16-9(2)19)3-4-11(8)17-12-5-6-15-13(14)18-12;/h3-7H,1-2H3,(H,16,19)(H3,14,15,17,18);1H
InChIKeyAZIPYVLJEKCXJE-UHFFFAOYSA-N
MW293.76 g/mol
LogP2.49
Rot. Bonds3

About N-[4-[(2-aminopyrimidin-4-yl)amino]-3-methylphenyl]acetamide;hydrochloride

N-[4-[(2-aminopyrimidin-4-yl)amino]-3-methylphenyl]acetamide;hydrochloride (PubChem CID 160584950) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is N-[4-[(2-aminopyrimidin-4-yl)amino]-3-methylphenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(2-aminopyrimidin-4-yl)amino]-3-methylphenyl]acetamide;hydrochloride
PubChem CID160584950
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC NameN-[4-[(2-aminopyrimidin-4-yl)amino]-3-methylphenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(Nc2ccnc(N)n2)c(C)c1.Cl
InChIInChI=1S/C13H15N5O.ClH/c1-8-7-10(16-9(2)19)3-4-11(8)17-12-5-6-15-13(14)18-12;/h3-7H,1-2H3,(H,16,19)(H3,14,15,17,18);1H
InChIKeyAZIPYVLJEKCXJE-UHFFFAOYSA-N
XLogP2.49
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine
CID 143557696
4-N-(2,5-dichloro-4-methylphenyl)pyrimidine-2,4-diamine
CID 104728696
N-[4-[(2-benzylpyrimidin-4-yl)amino]-2-methylphenyl]acetamide
CID 166216340
N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride
CID 17385562
4-N-(4-fluoro-2,6-dimethylphenyl)pyrimidine-2,4-diamine
CID 72708993
4-[(2-aminopyrimidin-4-yl)amino]-3,5-dimethylbenzaldehyde
CID 155906575
2-(4-acetamidoanilino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 109177651
N-[4-[[4-(3,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112905832
N-[4-[[2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117086885
N-[4-(2-chloropyrimidin-4-yl)-3-methylphenyl]acetamide;ethane
CID 145490179
N-(4-acetamido-3-methylphenyl)-2-aminobutanamide
CID 43698853
N-[3-methyl-4-[[5-[4-(4-methylpyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]phenyl]acetamide
CID 139405494

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-aminopyrimidin-4-yl)amino]-3-methylphenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[(2-aminopyrimidin-4-yl)amino]-3-methylphenyl]acetamide;hydrochloride (CID 160584950) is N-[4-[(2-aminopyrimidin-4-yl)amino]-3-methylphenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[(2-aminopyrimidin-4-yl)amino]-3-methylphenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[(2-aminopyrimidin-4-yl)amino]-3-methylphenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(Nc2ccnc(N)n2)c(C)c1.Cl.
What is the InChIKey of N-[4-[(2-aminopyrimidin-4-yl)amino]-3-methylphenyl]acetamide;hydrochloride?
The InChIKey is AZIPYVLJEKCXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O.ClH/c1-8-7-10(16-9(2)19)3-4-11(8)17-12-5-6-15-13(14)18-12;/h3-7H,1-2H3,(H,16,19)(H3,14,15,17,18);1H.
What are the key properties of N-[4-[(2-aminopyrimidin-4-yl)amino]-3-methylphenyl]acetamide;hydrochloride?
N-[4-[(2-aminopyrimidin-4-yl)amino]-3-methylphenyl]acetamide;hydrochloride has a molecular weight of 293.76 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-aminopyrimidin-4-yl)amino]-3-methylphenyl]acetamide;hydrochloride is sourced from PubChem (CID 160584950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).