5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide

C15H16ClFN4O3 — CID 121485984

IUPAC5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)N[C@H](C)COc2ccc(Cl)c(F)c2)=C1N
InChIInChI=1S/C15H16ClFN4O3/c1-7(6-24-9-3-4-10(16)11(17)5-9)19-14(22)13-12(18)8(2)20-15(23)21-13/h3-5,7H,2,6,18H2,1H3,(H,19,22)(H2,20,21,23)/t7-/m1/s1
InChIKeyQTPSNEGPXYQSNT-SSDOTTSWSA-N
MW354.77 g/mol
LogP1.36
Rot. Bonds5

About 5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide

5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide (PubChem CID 121485984) has the molecular formula C15H16ClFN4O3 and a molecular weight of 354.77 g/mol. Its IUPAC name is 5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
PubChem CID121485984
Molecular FormulaC15H16ClFN4O3
Molecular Weight354.77 g/mol
Exact Mass354.09
IUPAC Name5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)N[C@H](C)COc2ccc(Cl)c(F)c2)=C1N
InChIInChI=1S/C15H16ClFN4O3/c1-7(6-24-9-3-4-10(16)11(17)5-9)19-14(22)13-12(18)8(2)20-15(23)21-13/h3-5,7H,2,6,18H2,1H3,(H,19,22)(H2,20,21,23)/t7-/m1/s1
InChIKeyQTPSNEGPXYQSNT-SSDOTTSWSA-N
XLogP1.36
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-methylidene-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide
CID 121485948
5-amino-N-[(2R)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
CID 121485968
5-amino-N-[(2R)-1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
CID 121486014
5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide
CID 121486001
5-amino-N-[1-(4-chloro-3-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118574706
methyl (2R)-2-(4-chloro-3-fluorophenoxy)propanoate
CID 103338162
3-(4-chloro-3-fluorophenoxy)-2-methylpropan-1-ol
CID 115871138
4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100540757
3-(4-chloro-3-fluorophenoxy)-2-ethoxypropanoic acid
CID 82727545
(3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid
CID 103548134
2-(4-chloro-3-fluorophenoxy)-N-ethenylacetamide
CID 155716981
2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 30481632

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide (CID 121485984) is 5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide is C=C1NC(=O)NC(C(=O)N[C@H](C)COc2ccc(Cl)c(F)c2)=C1N.
What is the InChIKey of 5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?
The InChIKey is QTPSNEGPXYQSNT-SSDOTTSWSA-N. The full InChI is InChI=1S/C15H16ClFN4O3/c1-7(6-24-9-3-4-10(16)11(17)5-9)19-14(22)13-12(18)8(2)20-15(23)21-13/h3-5,7H,2,6,18H2,1H3,(H,19,22)(H2,20,21,23)/t7-/m1/s1.
What are the key properties of 5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?
5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide has a molecular weight of 354.77 g/mol, XLogP of 1.36, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 121485984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).