4-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine

C21H23FN4 — CID 112932542

IUPAC4-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(NCCc2ccccc2F)cc(-c2ccccc2)n1
InChIInChI=1S/C21H23FN4/c1-2-13-24-21-25-19(17-9-4-3-5-10-17)15-20(26-21)23-14-12-16-8-6-7-11-18(16)22/h3-11,15H,2,12-14H2,1H3,(H2,23,24,25,26)
InChIKeyNJCYVNRBHGFQEW-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.76
Rot. Bonds8

About 4-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine

4-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 112932542) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID112932542
Molecular FormulaC21H23FN4
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC Name4-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(NCCc2ccccc2F)cc(-c2ccccc2)n1
InChIInChI=1S/C21H23FN4/c1-2-13-24-21-25-19(17-9-4-3-5-10-17)15-20(26-21)23-14-12-16-8-6-7-11-18(16)22/h3-11,15H,2,12-14H2,1H3,(H2,23,24,25,26)
InChIKeyNJCYVNRBHGFQEW-UHFFFAOYSA-N
XLogP4.76
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932408
2-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933276
4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932553
2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932435
4-N-[2-(3-methoxyphenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932545
2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63485042
6-phenyl-N,2-dipropylpyrimidin-4-amine
CID 55193281
2-N-[2-(2-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908501
4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908693
3-N-butyl-5-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112940107
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932522
4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932516

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine (CID 112932542) is 4-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(NCCc2ccccc2F)cc(-c2ccccc2)n1.
What is the InChIKey of 4-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is NJCYVNRBHGFQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4/c1-2-13-24-21-25-19(17-9-4-3-5-10-17)15-20(26-21)23-14-12-16-8-6-7-11-18(16)22/h3-11,15H,2,12-14H2,1H3,(H2,23,24,25,26).
What are the key properties of 4-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine?
4-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 350.44 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).