4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine

C23H19FN4O — CID 112891495

IUPAC4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESFc1ccc(CNc2ccnc(Nc3ccccc3Oc3ccccc3)n2)cc1
InChIInChI=1S/C23H19FN4O/c24-18-12-10-17(11-13-18)16-26-22-14-15-25-23(28-22)27-20-8-4-5-9-21(20)29-19-6-2-1-3-7-19/h1-15H,16H2,(H2,25,26,27,28)
InChIKeyYPGPPSIHMPVDCH-UHFFFAOYSA-N
MW386.43 g/mol
LogP5.76
Rot. Bonds7

About 4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine

4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112891495) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is 4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112891495
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESFc1ccc(CNc2ccnc(Nc3ccccc3Oc3ccccc3)n2)cc1
InChIInChI=1S/C23H19FN4O/c24-18-12-10-17(11-13-18)16-26-22-14-15-25-23(28-22)27-20-8-4-5-9-21(20)29-19-6-2-1-3-7-19/h1-15H,16H2,(H2,25,26,27,28)
InChIKeyYPGPPSIHMPVDCH-UHFFFAOYSA-N
XLogP5.76
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112891413
3-N-[(4-fluorophenyl)methyl]-5-N-(2-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112950162
2-N-[(2-fluorophenyl)methyl]-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112891339
2-N-(2-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892448
4-N-[(4-fluorophenyl)methyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112891491
2-N-(2,5-dimethoxyphenyl)-4-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891459
2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112901866
4-N-benzyl-2-N-(2-bromophenyl)pyrimidine-2,4-diamine
CID 112889532
4-N-(oxolan-2-ylmethyl)-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112886819
2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112903553
4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112890302
2-N-tert-butyl-4-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891399

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine (CID 112891495) is 4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine is Fc1ccc(CNc2ccnc(Nc3ccccc3Oc3ccccc3)n2)cc1.
What is the InChIKey of 4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is YPGPPSIHMPVDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c24-18-12-10-17(11-13-18)16-26-22-14-15-25-23(28-22)27-20-8-4-5-9-21(20)29-19-6-2-1-3-7-19/h1-15H,16H2,(H2,25,26,27,28).
What are the key properties of 4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 386.43 g/mol, XLogP of 5.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112891495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).