(2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)propanamide

C14H17FN4O2 — CID 129471364

IUPAC(2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)propanamide
SMILESCCc1ncnc(N[C@@H](C)C(=O)NCc2ccco2)c1F
InChIInChI=1S/C14H17FN4O2/c1-3-11-12(15)13(18-8-17-11)19-9(2)14(20)16-7-10-5-4-6-21-10/h4-6,8-9H,3,7H2,1-2H3,(H,16,20)(H,17,18,19)/t9-/m0/s1
InChIKeyXCHCPYVBBJOBNU-VIFPVBQESA-N
MW292.31 g/mol
LogP1.89
Rot. Bonds6

About (2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)propanamide

(2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 129471364) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is (2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)propanamide
PubChem CID129471364
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name(2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)propanamide
SMILESCCc1ncnc(N[C@@H](C)C(=O)NCc2ccco2)c1F
InChIInChI=1S/C14H17FN4O2/c1-3-11-12(15)13(18-8-17-11)19-9(2)14(20)16-7-10-5-4-6-21-10/h4-6,8-9H,3,7H2,1-2H3,(H,16,20)(H,17,18,19)/t9-/m0/s1
InChIKeyXCHCPYVBBJOBNU-VIFPVBQESA-N
XLogP1.89
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)propanamide 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

N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide
CID 113344286
(2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoic acid
CID 120964282
2-(2-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088644
N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 119129013
2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 107573921
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583
2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088700
2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088873
N-(furan-2-ylmethyl)-2-(1-methylsulfanylbutan-2-ylamino)propanamide
CID 113494652
2-(4-chloro-3-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 61470316
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)propanamide (CID 129471364) is (2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)propanamide is CCc1ncnc(N[C@@H](C)C(=O)NCc2ccco2)c1F.
What is the InChIKey of (2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is XCHCPYVBBJOBNU-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-3-11-12(15)13(18-8-17-11)19-9(2)14(20)16-7-10-5-4-6-21-10/h4-6,8-9H,3,7H2,1-2H3,(H,16,20)(H,17,18,19)/t9-/m0/s1.
What are the key properties of (2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)propanamide?
(2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 292.31 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 129471364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).