(2S)-2-amino-3-(3,5-difluorophenyl)-N-(2-ethylpyrimidin-5-yl)-N-methylpropanamide

C16H18F2N4O — CID 122647565

IUPAC(2S)-2-amino-3-(3,5-difluorophenyl)-N-(2-ethylpyrimidin-5-yl)-N-methylpropanamide
SMILESCCc1ncc(N(C)C(=O)[C@@H](N)Cc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C16H18F2N4O/c1-3-15-20-8-13(9-21-15)22(2)16(23)14(19)6-10-4-11(17)7-12(18)5-10/h4-5,7-9,14H,3,6,19H2,1-2H3/t14-/m0/s1
InChIKeyBNBDVRBHLRRQRX-AWEZNQCLSA-N
MW320.34 g/mol
LogP1.85
Rot. Bonds5

About (2S)-2-amino-3-(3,5-difluorophenyl)-N-(2-ethylpyrimidin-5-yl)-N-methylpropanamide

(2S)-2-amino-3-(3,5-difluorophenyl)-N-(2-ethylpyrimidin-5-yl)-N-methylpropanamide (PubChem CID 122647565) has the molecular formula C16H18F2N4O and a molecular weight of 320.34 g/mol. Its IUPAC name is (2S)-2-amino-3-(3,5-difluorophenyl)-N-(2-ethylpyrimidin-5-yl)-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(3,5-difluorophenyl)-N-(2-ethylpyrimidin-5-yl)-N-methylpropanamide
PubChem CID122647565
Molecular FormulaC16H18F2N4O
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name(2S)-2-amino-3-(3,5-difluorophenyl)-N-(2-ethylpyrimidin-5-yl)-N-methylpropanamide
SMILESCCc1ncc(N(C)C(=O)[C@@H](N)Cc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C16H18F2N4O/c1-3-15-20-8-13(9-21-15)22(2)16(23)14(19)6-10-4-11(17)7-12(18)5-10/h4-5,7-9,14H,3,6,19H2,1-2H3/t14-/m0/s1
InChIKeyBNBDVRBHLRRQRX-AWEZNQCLSA-N
XLogP1.85
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3-(3,5-difluorophenyl)-N-(2-ethylpyrimidin-5-yl)-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-3-(3,5-difluorophenyl)-N-(4-ethylphenyl)-N-methylpropanamide;sulfane
CID 161382530
(2S)-2-amino-3-(3,5-difluorophenyl)-N-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide
CID 134371536
1-N,3-N-bis[(2S)-3-(3,5-difluorophenyl)-1-[(2-ethylpyrimidin-5-yl)-methylamino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide
CID 122647285
(2S)-2-amino-3-(3,5-difluorophenyl)-N-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide
CID 122641785
1-N-[3-(3,5-difluorophenyl)-1-[(2-ethylpyrimidin-5-yl)-methylamino]-1-oxopropan-2-yl]-3-N-[(2S)-1-(3,5-difluorophenyl)-3-oxopropan-2-yl]-6-fluorocyclohexa-1,3-diene-1,3-dicarboxamide;2-ethyl-N,N-dimethylpyrimidin-5-amine
CID 145175821
(2S)-3-(3,5-difluorophenyl)-N-methyl-2-(methylamino)-N-quinoxalin-6-ylpropanamide
CID 122647583
methyl N-[4-[[(2S)-2-amino-3-(3,5-difluorophenyl)propanoyl]-ethylamino]phenyl]carbamate
CID 122647383
methyl (2S)-3-(3,5-difluorophenyl)-2-(tritioamino)propanoate
CID 58759908
1-N-[(2S)-3-(3,5-difluorophenyl)-1-[methyl-(6-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]-3-N-[3-(3,5-difluorophenyl)-1-[methyl-(6-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-fluorobenzene-1,3-dicarboxamide
CID 134344846
(2S)-2-amino-3-(3,5-difluorophenyl)-N-prop-2-enyl-N-quinoxalin-6-ylpropanamide
CID 122647442
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 28802517
2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 43211990

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3,5-difluorophenyl)-N-(2-ethylpyrimidin-5-yl)-N-methylpropanamide?
The IUPAC name of (2S)-2-amino-3-(3,5-difluorophenyl)-N-(2-ethylpyrimidin-5-yl)-N-methylpropanamide (CID 122647565) is (2S)-2-amino-3-(3,5-difluorophenyl)-N-(2-ethylpyrimidin-5-yl)-N-methylpropanamide.
What is the SMILES notation for (2S)-2-amino-3-(3,5-difluorophenyl)-N-(2-ethylpyrimidin-5-yl)-N-methylpropanamide?
The canonical SMILES for (2S)-2-amino-3-(3,5-difluorophenyl)-N-(2-ethylpyrimidin-5-yl)-N-methylpropanamide is CCc1ncc(N(C)C(=O)[C@@H](N)Cc2cc(F)cc(F)c2)cn1.
What is the InChIKey of (2S)-2-amino-3-(3,5-difluorophenyl)-N-(2-ethylpyrimidin-5-yl)-N-methylpropanamide?
The InChIKey is BNBDVRBHLRRQRX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18F2N4O/c1-3-15-20-8-13(9-21-15)22(2)16(23)14(19)6-10-4-11(17)7-12(18)5-10/h4-5,7-9,14H,3,6,19H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3,5-difluorophenyl)-N-(2-ethylpyrimidin-5-yl)-N-methylpropanamide?
(2S)-2-amino-3-(3,5-difluorophenyl)-N-(2-ethylpyrimidin-5-yl)-N-methylpropanamide has a molecular weight of 320.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3,5-difluorophenyl)-N-(2-ethylpyrimidin-5-yl)-N-methylpropanamide is sourced from PubChem (CID 122647565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).