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

C20H21FN4O — CID 112892529

IUPAC4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nccc(NCCc3ccccc3F)n2)cc1
InChIInChI=1S/C20H21FN4O/c1-26-17-8-6-15(7-9-17)14-24-20-23-13-11-19(25-20)22-12-10-16-4-2-3-5-18(16)21/h2-9,11,13H,10,12,14H2,1H3,(H2,22,23,24,25)
InChIKeyWAGLGTLEPKUTHY-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.89
Rot. Bonds8

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

4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112892529) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112892529
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nccc(NCCc3ccccc3F)n2)cc1
InChIInChI=1S/C20H21FN4O/c1-26-17-8-6-15(7-9-17)14-24-20-23-13-11-19(25-20)22-12-10-16-4-2-3-5-18(16)21/h2-9,11,13H,10,12,14H2,1H3,(H2,22,23,24,25)
InChIKeyWAGLGTLEPKUTHY-UHFFFAOYSA-N
XLogP3.89
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891248
4-N-[(4-chlorophenyl)methyl]-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112891882
2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892117
2-N-[(2-fluorophenyl)methyl]-4-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112891251
4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893825
2-N-[(2-chlorophenyl)methyl]-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112891782
2-N-(2-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892448
2-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112894622
4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891261
4-N-(2,5-dimethoxyphenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894629
4-N-[(2-chlorophenyl)methyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112891650
2-N-[(4-methoxyphenyl)methyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890248

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 112892529) is 4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine is COc1ccc(CNc2nccc(NCCc3ccccc3F)n2)cc1.
What is the InChIKey of 4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is WAGLGTLEPKUTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-26-17-8-6-15(7-9-17)14-24-20-23-13-11-19(25-20)22-12-10-16-4-2-3-5-18(16)21/h2-9,11,13H,10,12,14H2,1H3,(H2,22,23,24,25).
What are the key properties of 4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 352.41 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112892529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).