N-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]propanamide

C15H16ClN3O — CID 123390280

IUPACN-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(-c2cc(Cl)ncn2)cc1C
InChIInChI=1S/C15H16ClN3O/c1-3-15(20)17-8-12-5-4-11(6-10(12)2)13-7-14(16)19-9-18-13/h4-7,9H,3,8H2,1-2H3,(H,17,20)
InChIKeyLPPSSLRYASRXLE-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.13
Rot. Bonds4

About N-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]propanamide

N-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]propanamide (PubChem CID 123390280) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]propanamide
PubChem CID123390280
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(-c2cc(Cl)ncn2)cc1C
InChIInChI=1S/C15H16ClN3O/c1-3-15(20)17-8-12-5-4-11(6-10(12)2)13-7-14(16)19-9-18-13/h4-7,9H,3,8H2,1-2H3,(H,17,20)
InChIKeyLPPSSLRYASRXLE-UHFFFAOYSA-N
XLogP3.13
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(6-chloropyrimidin-4-yl)-2-ethoxybenzoate
CID 135333692
ethyl 4-(6-chloropyrimidin-4-yl)benzoate
CID 24902046
N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 110783031
N-[[2-methyl-4-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]phenyl]methyl]propanamide
CID 123495545
N-[(4-bromo-2-chlorophenyl)methyl]propanamide
CID 67191892
2-chloro-4-(4-ethyl-3-methylphenyl)pyridine
CID 122646749
4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine
CID 24902174
4-(6-chloropyrimidin-4-yl)-2-ethoxybenzonitrile;3-oxobutanoic acid
CID 174908478
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide
CID 110782924
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
N-[(2,4-dimethylphenyl)methyl]-2-hydroxyacetamide
CID 82125722

Frequently Asked Questions

What is the IUPAC name of N-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]propanamide?
The IUPAC name of N-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]propanamide (CID 123390280) is N-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]propanamide.
What is the SMILES notation for N-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]propanamide?
The canonical SMILES for N-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]propanamide is CCC(=O)NCc1ccc(-c2cc(Cl)ncn2)cc1C.
What is the InChIKey of N-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]propanamide?
The InChIKey is LPPSSLRYASRXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-3-15(20)17-8-12-5-4-11(6-10(12)2)13-7-14(16)19-9-18-13/h4-7,9H,3,8H2,1-2H3,(H,17,20).
What are the key properties of N-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]propanamide?
N-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]propanamide has a molecular weight of 289.77 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]propanamide is sourced from PubChem (CID 123390280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).