methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-hydroxypropanoate

C10H14FN3O3 — CID 103880097

IUPACmethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-hydroxypropanoate
SMILESCCc1ncnc(NC(CO)C(=O)OC)c1F
InChIInChI=1S/C10H14FN3O3/c1-3-6-8(11)9(13-5-12-6)14-7(4-15)10(16)17-2/h5,7,15H,3-4H2,1-2H3,(H,12,13,14)
InChIKeySFOXDORBOJKRDA-UHFFFAOYSA-N
MW243.24 g/mol
LogP0.12
Rot. Bonds5

About methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-hydroxypropanoate

methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-hydroxypropanoate (PubChem CID 103880097) has the molecular formula C10H14FN3O3 and a molecular weight of 243.24 g/mol. Its IUPAC name is methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-hydroxypropanoate
PubChem CID103880097
Molecular FormulaC10H14FN3O3
Molecular Weight243.24 g/mol
Exact Mass243.10
IUPAC Namemethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-hydroxypropanoate
SMILESCCc1ncnc(NC(CO)C(=O)OC)c1F
InChIInChI=1S/C10H14FN3O3/c1-3-6-8(11)9(13-5-12-6)14-7(4-15)10(16)17-2/h5,7,15H,3-4H2,1-2H3,(H,12,13,14)
InChIKeySFOXDORBOJKRDA-UHFFFAOYSA-N
XLogP0.12
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-hydroxypropanoate with MolForge

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Related Compounds

4-(6-Ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide
CID 84597644
6-ethyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine
CID 90249316
4-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-ol
CID 84596664
(3R,4R)-4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-ol
CID 97611516
(3R,4S)-4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-ol
CID 97611517
(3S,4R)-4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-ol
CID 97611518
(3S,4S)-4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-ol
CID 97611519
(3R)-4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide
CID 97613233
(3S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide
CID 97613234
6-ethyl-5-fluoro-N-(2-methoxypropyl)pyrimidin-4-amine
CID 102809658
N-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 103081341
2-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]butan-1-ol
CID 103867388

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-hydroxypropanoate (CID 103880097) is methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-hydroxypropanoate is CCc1ncnc(NC(CO)C(=O)OC)c1F.
What is the InChIKey of methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-hydroxypropanoate?
The InChIKey is SFOXDORBOJKRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3/c1-3-6-8(11)9(13-5-12-6)14-7(4-15)10(16)17-2/h5,7,15H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-hydroxypropanoate?
methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-hydroxypropanoate has a molecular weight of 243.24 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-hydroxypropanoate is sourced from PubChem (CID 103880097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).