[4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]phenyl]urea

C23H21FN6O2 — CID 24962201

IUPAC[4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]phenyl]urea
SMILESCCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3ccc(NC(N)=O)cc3)nc12
InChIInChI=1S/C23H21FN6O2/c1-2-32-21-20-19(29-23(30-21)26-13-14-3-7-16(24)8-4-14)12-11-18(28-20)15-5-9-17(10-6-15)27-22(25)31/h3-12H,2,13H2,1H3,(H3,25,27,31)(H,26,29,30)
InChIKeyVBFVTCXQUKLPGZ-UHFFFAOYSA-N
MW432.46 g/mol
LogP4.33
Rot. Bonds7

About [4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]phenyl]urea

[4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]phenyl]urea (PubChem CID 24962201) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is [4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]phenyl]urea.

Molecular Properties

Compound Name[4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]phenyl]urea
PubChem CID24962201
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Name[4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]phenyl]urea
SMILESCCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3ccc(NC(N)=O)cc3)nc12
InChIInChI=1S/C23H21FN6O2/c1-2-32-21-20-19(29-23(30-21)26-13-14-3-7-16(24)8-4-14)12-11-18(28-20)15-5-9-17(10-6-15)27-22(25)31/h3-12H,2,13H2,1H3,(H3,25,27,31)(H,26,29,30)
InChIKeyVBFVTCXQUKLPGZ-UHFFFAOYSA-N
XLogP4.33
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(6-amino-3-pyridinyl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
CID 69314270
6-(2-aminopyrimidin-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
CID 69319740
6-(3-aminophenyl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
CID 69319400
N-[4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]pyrrolidine-3-carboxamide
CID 75276964
[4-[4-ethoxy-2-[(4-sulfamoylphenyl)methylamino]quinazolin-6-yl]phenyl]urea
CID 68599575
1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]cyclopropane-1-carboxamide
CID 24958891
4-ethoxy-6-(4-fluorophenyl)-N-pentan-2-ylpyrido[3,2-d]pyrimidin-2-amine
CID 69098748
6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-2-amine
CID 24960749
4-[[(6-chloro-4-ethoxypyrido[3,2-d]pyrimidin-2-yl)amino]methyl]benzenesulfonamide
CID 59767233
4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorobenzamide
CID 69033636
4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine;morpholine
CID 69078731
1-[2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]phenyl]ethanone
CID 25004607

Frequently Asked Questions

What is the IUPAC name of [4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]phenyl]urea?
The IUPAC name of [4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]phenyl]urea (CID 24962201) is [4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]phenyl]urea.
What is the SMILES notation for [4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]phenyl]urea?
The canonical SMILES for [4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]phenyl]urea is CCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3ccc(NC(N)=O)cc3)nc12.
What is the InChIKey of [4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]phenyl]urea?
The InChIKey is VBFVTCXQUKLPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-2-32-21-20-19(29-23(30-21)26-13-14-3-7-16(24)8-4-14)12-11-18(28-20)15-5-9-17(10-6-15)27-22(25)31/h3-12H,2,13H2,1H3,(H3,25,27,31)(H,26,29,30).
What are the key properties of [4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]phenyl]urea?
[4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]phenyl]urea has a molecular weight of 432.46 g/mol, XLogP of 4.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]phenyl]urea is sourced from PubChem (CID 24962201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).