(2R)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide

C16H19ClN4O — CID 124606771

IUPAC(2R)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide
SMILESC[C@H](C(=O)Nc1ncccn1)N(C)CCc1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN4O/c1-12(15(22)20-16-18-9-3-10-19-16)21(2)11-8-13-4-6-14(17)7-5-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,18,19,20,22)/t12-/m1/s1
InChIKeyBHWXPORADGEIFY-GFCCVEGCSA-N
MW318.81 g/mol
LogP2.63
Rot. Bonds6

About (2R)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide

(2R)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide (PubChem CID 124606771) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is (2R)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide
PubChem CID124606771
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name(2R)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide
SMILESC[C@H](C(=O)Nc1ncccn1)N(C)CCc1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN4O/c1-12(15(22)20-16-18-9-3-10-19-16)21(2)11-8-13-4-6-14(17)7-5-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,18,19,20,22)/t12-/m1/s1
InChIKeyBHWXPORADGEIFY-GFCCVEGCSA-N
XLogP2.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide
CID 124606770
N-(2,5-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 75439020
(2S)-N-(2,5-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 97332404
(2S)-2-[(4-fluorophenyl)methyl-methylamino]-N-pyrimidin-2-ylpropanamide
CID 94177190
N-(2-chloro-3-pyridinyl)-2-[methyl(2-pyridin-2-ylethyl)amino]propanamide
CID 75402133
3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911992
1-[(4-chlorophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108899241
(2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide
CID 124732754
N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide
CID 42911459
(2R)-N-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 9461268
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 9461401
N-(5-chloro-2-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]propanamide
CID 119042166

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide?
The IUPAC name of (2R)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide (CID 124606771) is (2R)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for (2R)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for (2R)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide is C[C@H](C(=O)Nc1ncccn1)N(C)CCc1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide?
The InChIKey is BHWXPORADGEIFY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-12(15(22)20-16-18-9-3-10-19-16)21(2)11-8-13-4-6-14(17)7-5-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,18,19,20,22)/t12-/m1/s1.
What are the key properties of (2R)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide?
(2R)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide has a molecular weight of 318.81 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 124606771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).