3-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylpropanamide;hydrochloride

C15H19ClN4O — CID 119742337

IUPAC3-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylpropanamide;hydrochloride
SMILESCc1nccc(CNC(=O)C(CN)c2ccccc2)n1.Cl
InChIInChI=1S/C15H18N4O.ClH/c1-11-17-8-7-13(19-11)10-18-15(20)14(9-16)12-5-3-2-4-6-12;/h2-8,14H,9-10,16H2,1H3,(H,18,20);1H
InChIKeyVFQGTLZUGILBTR-UHFFFAOYSA-N
MW306.80 g/mol
LogP1.57
Rot. Bonds5

About 3-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylpropanamide;hydrochloride

3-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylpropanamide;hydrochloride (PubChem CID 119742337) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 3-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylpropanamide;hydrochloride
PubChem CID119742337
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name3-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylpropanamide;hydrochloride
SMILESCc1nccc(CNC(=O)C(CN)c2ccccc2)n1.Cl
InChIInChI=1S/C15H18N4O.ClH/c1-11-17-8-7-13(19-11)10-18-15(20)14(9-16)12-5-3-2-4-6-12;/h2-8,14H,9-10,16H2,1H3,(H,18,20);1H
InChIKeyVFQGTLZUGILBTR-UHFFFAOYSA-N
XLogP1.57
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide
CID 93444407
3-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylpropanamide;dihydrochloride
CID 119869372
2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid
CID 114897739
3-amino-2-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 62878373
2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 61138716
2,3-dimethyl-4-[(2-methylpyrimidin-4-yl)methylamino]-4-oxobutanoic acid
CID 103497934
2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
CID 79202738
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 119727860
2-[2-[(2-methylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzoic acid
CID 115923726
3-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-phenylpropanamide
CID 62878158
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528
3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide
CID 62879092

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylpropanamide;hydrochloride (CID 119742337) is 3-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylpropanamide;hydrochloride is Cc1nccc(CNC(=O)C(CN)c2ccccc2)n1.Cl.
What is the InChIKey of 3-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylpropanamide;hydrochloride?
The InChIKey is VFQGTLZUGILBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O.ClH/c1-11-17-8-7-13(19-11)10-18-15(20)14(9-16)12-5-3-2-4-6-12;/h2-8,14H,9-10,16H2,1H3,(H,18,20);1H.
What are the key properties of 3-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylpropanamide;hydrochloride?
3-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylpropanamide;hydrochloride has a molecular weight of 306.80 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119742337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).