5-[4-amino-6-(methylamino)pyrimidine-5-carboximidoyl]-2-fluorophenol

C12H12FN5O — CID 122448670

IUPAC5-[4-amino-6-(methylamino)pyrimidine-5-carboximidoyl]-2-fluorophenol
SMILES[H]/N=C(\c1ccc(F)c(O)c1)c1c(N)ncnc1NC
InChIInChI=1S/C12H12FN5O/c1-16-12-9(11(15)17-5-18-12)10(14)6-2-3-7(13)8(19)4-6/h2-5,14,19H,1H3,(H3,15,16,17,18)/b14-10+
InChIKeyIYYFBYWQWNAWHC-GXDHUFHOSA-N
MW261.26 g/mol
LogP1.36
Rot. Bonds3

About 5-[4-amino-6-(methylamino)pyrimidine-5-carboximidoyl]-2-fluorophenol

5-[4-amino-6-(methylamino)pyrimidine-5-carboximidoyl]-2-fluorophenol (PubChem CID 122448670) has the molecular formula C12H12FN5O and a molecular weight of 261.26 g/mol. Its IUPAC name is 5-[4-amino-6-(methylamino)pyrimidine-5-carboximidoyl]-2-fluorophenol.

Molecular Properties

Compound Name5-[4-amino-6-(methylamino)pyrimidine-5-carboximidoyl]-2-fluorophenol
PubChem CID122448670
Molecular FormulaC12H12FN5O
Molecular Weight261.26 g/mol
Exact Mass261.10
IUPAC Name5-[4-amino-6-(methylamino)pyrimidine-5-carboximidoyl]-2-fluorophenol
SMILES[H]/N=C(\c1ccc(F)c(O)c1)c1c(N)ncnc1NC
InChIInChI=1S/C12H12FN5O/c1-16-12-9(11(15)17-5-18-12)10(14)6-2-3-7(13)8(19)4-6/h2-5,14,19H,1H3,(H3,15,16,17,18)/b14-10+
InChIKeyIYYFBYWQWNAWHC-GXDHUFHOSA-N
XLogP1.36
TPSA107.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-N-(2,3-dihydro-1H-inden-2-yl)-5-[4-fluoro-3-(methylamino)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 144832479
N-[2-[[6-amino-5-[4-fluoro-3-(methylamino)benzenecarboximidoyl]pyrimidin-4-yl]amino]ethyl]-N-phenylformamide
CID 144842470
3-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]phenol
CID 148645761
4-N-tert-butyl-5-[4-(trifluoromethoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 147808602
5-(2,4-dimethyl-1,3-thiazole-5-carboximidoyl)-4-N-methylpyrimidine-4,6-diamine
CID 89181740
5-[4-(difluoromethoxy)-3-fluorobenzenecarboximidoyl]pyrimidine-4,6-diamine
CID 123591076
3-[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidoyl]-5-fluorophenol
CID 144832497
5-(6-ethoxynaphthalene-2-carboximidoyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 145130112
1-[[6-amino-5-(6-ethoxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 145130159
3-[4-amino-6-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidine-5-carboximidoyl]-5-fluorophenol
CID 144832280
5-[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidoyl]-2-prop-2-enoxyphenol
CID 144832344
4-N-(2-methoxy-5-phenylphenyl)-5-(naphthalene-2-carboximidoyl)pyrimidine-4,6-diamine
CID 145388019

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-6-(methylamino)pyrimidine-5-carboximidoyl]-2-fluorophenol?
The IUPAC name of 5-[4-amino-6-(methylamino)pyrimidine-5-carboximidoyl]-2-fluorophenol (CID 122448670) is 5-[4-amino-6-(methylamino)pyrimidine-5-carboximidoyl]-2-fluorophenol.
What is the SMILES notation for 5-[4-amino-6-(methylamino)pyrimidine-5-carboximidoyl]-2-fluorophenol?
The canonical SMILES for 5-[4-amino-6-(methylamino)pyrimidine-5-carboximidoyl]-2-fluorophenol is [H]/N=C(\c1ccc(F)c(O)c1)c1c(N)ncnc1NC.
What is the InChIKey of 5-[4-amino-6-(methylamino)pyrimidine-5-carboximidoyl]-2-fluorophenol?
The InChIKey is IYYFBYWQWNAWHC-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H12FN5O/c1-16-12-9(11(15)17-5-18-12)10(14)6-2-3-7(13)8(19)4-6/h2-5,14,19H,1H3,(H3,15,16,17,18)/b14-10+.
What are the key properties of 5-[4-amino-6-(methylamino)pyrimidine-5-carboximidoyl]-2-fluorophenol?
5-[4-amino-6-(methylamino)pyrimidine-5-carboximidoyl]-2-fluorophenol has a molecular weight of 261.26 g/mol, XLogP of 1.36, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-6-(methylamino)pyrimidine-5-carboximidoyl]-2-fluorophenol is sourced from PubChem (CID 122448670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).