N-(4-fluoro-2-methoxy-5-nitrophenyl)-6-(1,2-oxazolidin-2-yl)pyrimidin-4-amine

C14H14FN5O4 — CID 171554055

IUPACN-(4-fluoro-2-methoxy-5-nitrophenyl)-6-(1,2-oxazolidin-2-yl)pyrimidin-4-amine
SMILESCOc1cc(F)c([N+](=O)[O-])cc1Nc1cc(N2CCCO2)ncn1
InChIInChI=1S/C14H14FN5O4/c1-23-12-5-9(15)11(20(21)22)6-10(12)18-13-7-14(17-8-16-13)19-3-2-4-24-19/h5-8H,2-4H2,1H3,(H,16,17,18)
InChIKeySEGSSICIDUMHRT-UHFFFAOYSA-N
MW335.30 g/mol
LogP2.42
Rot. Bonds5

About N-(4-fluoro-2-methoxy-5-nitrophenyl)-6-(1,2-oxazolidin-2-yl)pyrimidin-4-amine

N-(4-fluoro-2-methoxy-5-nitrophenyl)-6-(1,2-oxazolidin-2-yl)pyrimidin-4-amine (PubChem CID 171554055) has the molecular formula C14H14FN5O4 and a molecular weight of 335.30 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxy-5-nitrophenyl)-6-(1,2-oxazolidin-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxy-5-nitrophenyl)-6-(1,2-oxazolidin-2-yl)pyrimidin-4-amine
PubChem CID171554055
Molecular FormulaC14H14FN5O4
Molecular Weight335.30 g/mol
Exact Mass335.10
IUPAC NameN-(4-fluoro-2-methoxy-5-nitrophenyl)-6-(1,2-oxazolidin-2-yl)pyrimidin-4-amine
SMILESCOc1cc(F)c([N+](=O)[O-])cc1Nc1cc(N2CCCO2)ncn1
InChIInChI=1S/C14H14FN5O4/c1-23-12-5-9(15)11(20(21)22)6-10(12)18-13-7-14(17-8-16-13)19-3-2-4-24-19/h5-8H,2-4H2,1H3,(H,16,17,18)
InChIKeySEGSSICIDUMHRT-UHFFFAOYSA-N
XLogP2.42
TPSA102.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluoro-2-methoxy-5-nitrophenyl)-6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-amine
CID 155128277
N-(4-fluoro-2-methoxy-5-nitrophenyl)-6-[(E)-1-[2-(methylamino)phenyl]prop-1-enyl]pyrimidin-4-amine
CID 163544527
N-[4-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-methoxy-5-nitrophenyl]-6-[(3R)-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2-oxazolidin-2-yl]pyrimidin-4-amine
CID 162761940
4-(2,3-dihydroindol-1-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine
CID 130412775
N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857120
4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-yl]benzene-1,4-diamine
CID 155695758
1-[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]quinolin-4-one
CID 130412740
(3S)-3-[6-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]oxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
CID 156903886
4,5-dimethoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)-2-nitrobenzamide
CID 90544101
5-fluoro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-amine
CID 118351897
N-(5-fluoro-2-methoxy-4-nitrophenyl)formamide
CID 168650974
3-benzyl-7-(4-fluoro-2-methoxy-5-nitroanilino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 171500458

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxy-5-nitrophenyl)-6-(1,2-oxazolidin-2-yl)pyrimidin-4-amine?
The IUPAC name of N-(4-fluoro-2-methoxy-5-nitrophenyl)-6-(1,2-oxazolidin-2-yl)pyrimidin-4-amine (CID 171554055) is N-(4-fluoro-2-methoxy-5-nitrophenyl)-6-(1,2-oxazolidin-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-fluoro-2-methoxy-5-nitrophenyl)-6-(1,2-oxazolidin-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4-fluoro-2-methoxy-5-nitrophenyl)-6-(1,2-oxazolidin-2-yl)pyrimidin-4-amine is COc1cc(F)c([N+](=O)[O-])cc1Nc1cc(N2CCCO2)ncn1.
What is the InChIKey of N-(4-fluoro-2-methoxy-5-nitrophenyl)-6-(1,2-oxazolidin-2-yl)pyrimidin-4-amine?
The InChIKey is SEGSSICIDUMHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O4/c1-23-12-5-9(15)11(20(21)22)6-10(12)18-13-7-14(17-8-16-13)19-3-2-4-24-19/h5-8H,2-4H2,1H3,(H,16,17,18).
What are the key properties of N-(4-fluoro-2-methoxy-5-nitrophenyl)-6-(1,2-oxazolidin-2-yl)pyrimidin-4-amine?
N-(4-fluoro-2-methoxy-5-nitrophenyl)-6-(1,2-oxazolidin-2-yl)pyrimidin-4-amine has a molecular weight of 335.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxy-5-nitrophenyl)-6-(1,2-oxazolidin-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 171554055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).