N-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine

C12H14FN5O2 — CID 80920092

IUPACN-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(NN)ncc2F)cc1OC
InChIInChI=1S/C12H14FN5O2/c1-19-9-4-3-7(5-10(9)20-2)16-11-8(13)6-15-12(17-11)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyHIUDTCPXMJEUJO-UHFFFAOYSA-N
MW279.28 g/mol
LogP1.66
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine

N-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine (PubChem CID 80920092) has the molecular formula C12H14FN5O2 and a molecular weight of 279.28 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
PubChem CID80920092
Molecular FormulaC12H14FN5O2
Molecular Weight279.28 g/mol
Exact Mass279.11
IUPAC NameN-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(NN)ncc2F)cc1OC
InChIInChI=1S/C12H14FN5O2/c1-19-9-4-3-7(5-10(9)20-2)16-11-8(13)6-15-12(17-11)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyHIUDTCPXMJEUJO-UHFFFAOYSA-N
XLogP1.66
TPSA94.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114841210
4-N-(6,7-difluoroquinolin-3-yl)-2-N-(3,4-dimethoxyphenyl)-5-fluoropyrimidine-2,4-diamine
CID 176696628
4-N-(3-aminophenyl)-5-fluoro-2-N-(3-fluoro-4-methoxyphenyl)pyrimidine-2,4-diamine
CID 139565423
5-fluoro-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773415
4-[[4-(3,4-dimethoxyanilino)-5-fluoropyrimidin-2-yl]amino]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide
CID 69307406
N-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80926308
N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80911429
2-N-(1-benzylpiperidin-1-ium-1-yl)-4-N-(3,4-dimethoxyphenyl)-5-fluoropyrimidine-2,4-diamine
CID 22060801
N-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80927980
2-N,4-N-bis(3-amino-4-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine
CID 22060532
N-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80927122
2-N-(5-amino-2-methoxyphenyl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine
CID 89188920

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine (CID 80920092) is N-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine is COc1ccc(Nc2nc(NN)ncc2F)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The InChIKey is HIUDTCPXMJEUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O2/c1-19-9-4-3-7(5-10(9)20-2)16-11-8(13)6-15-12(17-11)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
N-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine has a molecular weight of 279.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80920092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).