(2S)-2-[(4-fluorophenyl)methyl-methylamino]-N-pyrimidin-2-ylpropanamide

C15H17FN4O — CID 94177190

IUPAC(2S)-2-[(4-fluorophenyl)methyl-methylamino]-N-pyrimidin-2-ylpropanamide
SMILESC[C@@H](C(=O)Nc1ncccn1)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H17FN4O/c1-11(14(21)19-15-17-8-3-9-18-15)20(2)10-12-4-6-13(16)7-5-12/h3-9,11H,10H2,1-2H3,(H,17,18,19,21)/t11-/m0/s1
InChIKeyGPWRCAGSSKJLKE-NSHDSACASA-N
MW288.33 g/mol
LogP2.07
Rot. Bonds5

About (2S)-2-[(4-fluorophenyl)methyl-methylamino]-N-pyrimidin-2-ylpropanamide

(2S)-2-[(4-fluorophenyl)methyl-methylamino]-N-pyrimidin-2-ylpropanamide (PubChem CID 94177190) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is (2S)-2-[(4-fluorophenyl)methyl-methylamino]-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(4-fluorophenyl)methyl-methylamino]-N-pyrimidin-2-ylpropanamide
PubChem CID94177190
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name(2S)-2-[(4-fluorophenyl)methyl-methylamino]-N-pyrimidin-2-ylpropanamide
SMILESC[C@@H](C(=O)Nc1ncccn1)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H17FN4O/c1-11(14(21)19-15-17-8-3-9-18-15)20(2)10-12-4-6-13(16)7-5-12/h3-9,11H,10H2,1-2H3,(H,17,18,19,21)/t11-/m0/s1
InChIKeyGPWRCAGSSKJLKE-NSHDSACASA-N
XLogP2.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 9251723
(2R)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide
CID 124606771
(2S)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide
CID 124606770
2-[(4-fluorophenyl)methyl-methylamino]propanoic acid
CID 61413497
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methyl-methylamino]propanamide
CID 9041912
(2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide
CID 9274676
(2R)-N-(2-chloro-4-fluorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 8515292
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 9494892
N-(2-chloro-4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 51168197
(2R)-2-[(4-bromophenyl)methyl-methylamino]-N-(2-fluorophenyl)propanamide
CID 8009004
(2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide
CID 9251729
(2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide
CID 32727431

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluorophenyl)methyl-methylamino]-N-pyrimidin-2-ylpropanamide?
The IUPAC name of (2S)-2-[(4-fluorophenyl)methyl-methylamino]-N-pyrimidin-2-ylpropanamide (CID 94177190) is (2S)-2-[(4-fluorophenyl)methyl-methylamino]-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[(4-fluorophenyl)methyl-methylamino]-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for (2S)-2-[(4-fluorophenyl)methyl-methylamino]-N-pyrimidin-2-ylpropanamide is C[C@@H](C(=O)Nc1ncccn1)N(C)Cc1ccc(F)cc1.
What is the InChIKey of (2S)-2-[(4-fluorophenyl)methyl-methylamino]-N-pyrimidin-2-ylpropanamide?
The InChIKey is GPWRCAGSSKJLKE-NSHDSACASA-N. The full InChI is InChI=1S/C15H17FN4O/c1-11(14(21)19-15-17-8-3-9-18-15)20(2)10-12-4-6-13(16)7-5-12/h3-9,11H,10H2,1-2H3,(H,17,18,19,21)/t11-/m0/s1.
What are the key properties of (2S)-2-[(4-fluorophenyl)methyl-methylamino]-N-pyrimidin-2-ylpropanamide?
(2S)-2-[(4-fluorophenyl)methyl-methylamino]-N-pyrimidin-2-ylpropanamide has a molecular weight of 288.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluorophenyl)methyl-methylamino]-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 94177190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).