4-N-(3-fluorophenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine

C23H19FN4O — CID 112906273

IUPAC4-N-(3-fluorophenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
SMILESFc1cccc(Nc2ccnc(Nc3ccc(OCc4ccccc4)cc3)n2)c1
InChIInChI=1S/C23H19FN4O/c24-18-7-4-8-20(15-18)26-22-13-14-25-23(28-22)27-19-9-11-21(12-10-19)29-16-17-5-2-1-3-6-17/h1-15H,16H2,(H2,25,26,27,28)
InChIKeySWRQTPYXMQWQOU-UHFFFAOYSA-N
MW386.43 g/mol
LogP5.68
Rot. Bonds7

About 4-N-(3-fluorophenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine

4-N-(3-fluorophenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112906273) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is 4-N-(3-fluorophenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-fluorophenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112906273
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name4-N-(3-fluorophenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
SMILESFc1cccc(Nc2ccnc(Nc3ccc(OCc4ccccc4)cc3)n2)c1
InChIInChI=1S/C23H19FN4O/c24-18-7-4-8-20(15-18)26-22-13-14-25-23(28-22)27-19-9-11-21(12-10-19)29-16-17-5-2-1-3-6-17/h1-15H,16H2,(H2,25,26,27,28)
InChIKeySWRQTPYXMQWQOU-UHFFFAOYSA-N
XLogP5.68
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 ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112901890
3-N-(3-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112969058
2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine
CID 164645110
2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112903553
6-fluoro-N-(4-phenylmethoxyphenyl)pyridin-2-amine
CID 130565967
4-N-(2-methoxyphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112904554
ethyl 4-[[2-(3-fluoroanilino)pyrimidin-4-yl]amino]benzoate
CID 112906297
4-N-[(2-methylphenyl)methyl]-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112889814
4-N-[2-(3-fluorophenyl)ethyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 69185641
2-N-(3-fluorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895437
2-N-(2-bromophenyl)-4-N-(3-fluorophenyl)pyrimidine-2,4-diamine
CID 112906278
N-(3-fluorophenyl)-5-iodo-4-phenylmethoxypyrimidin-2-amine
CID 90052148

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluorophenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-fluorophenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine (CID 112906273) is 4-N-(3-fluorophenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-fluorophenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-fluorophenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine is Fc1cccc(Nc2ccnc(Nc3ccc(OCc4ccccc4)cc3)n2)c1.
What is the InChIKey of 4-N-(3-fluorophenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is SWRQTPYXMQWQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c24-18-7-4-8-20(15-18)26-22-13-14-25-23(28-22)27-19-9-11-21(12-10-19)29-16-17-5-2-1-3-6-17/h1-15H,16H2,(H2,25,26,27,28).
What are the key properties of 4-N-(3-fluorophenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine?
4-N-(3-fluorophenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 386.43 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluorophenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112906273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).