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

C20H21FN4O — CID 112892117

IUPAC2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1ccnc(NCCc2ccccc2F)n1
InChIInChI=1S/C20H21FN4O/c1-26-18-9-5-3-7-16(18)14-24-19-11-13-23-20(25-19)22-12-10-15-6-2-4-8-17(15)21/h2-9,11,13H,10,12,14H2,1H3,(H2,22,23,24,25)
InChIKeyJNTBAQDSKIZBEJ-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.89
Rot. Bonds8

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

2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112892117) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112892117
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1ccnc(NCCc2ccccc2F)n1
InChIInChI=1S/C20H21FN4O/c1-26-18-9-5-3-7-16(18)14-24-19-11-13-23-20(25-19)22-12-10-15-6-2-4-8-17(15)21/h2-9,11,13H,10,12,14H2,1H3,(H2,22,23,24,25)
InChIKeyJNTBAQDSKIZBEJ-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-[2-(2-fluorophenyl)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892529
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892129
2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112889572
4-N-[(2-chlorophenyl)methyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112891638
4-N-(2,5-dimethoxyphenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894629
4-N-[(4-chlorophenyl)methyl]-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112891882
4-N-[2-(4-methoxyphenoxy)ethyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892289
2-N-[(2-methoxyphenyl)methyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892258
4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885690
2-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112894622
2-N-tert-butyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892144

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 112892117) is 2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine is COc1ccccc1CNc1ccnc(NCCc2ccccc2F)n1.
What is the InChIKey of 2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is JNTBAQDSKIZBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-26-18-9-5-3-7-16(18)14-24-19-11-13-23-20(25-19)22-12-10-15-6-2-4-8-17(15)21/h2-9,11,13H,10,12,14H2,1H3,(H2,22,23,24,25).
What are the key properties of 2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-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 2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112892117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).