2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine

C18H25FN4 — CID 112920855

IUPAC2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCC(C)C)nc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C18H25FN4/c1-13(2)8-10-20-17-12-14(3)22-18(23-17)21-11-9-15-4-6-16(19)7-5-15/h4-7,12-13H,8-11H2,1-3H3,(H2,20,21,22,23)
InChIKeyZBJSNWFSICMMLO-UHFFFAOYSA-N
MW316.42 g/mol
LogP4.04
Rot. Bonds8

About 2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine

2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 112920855) has the molecular formula C18H25FN4 and a molecular weight of 316.42 g/mol. Its IUPAC name is 2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID112920855
Molecular FormulaC18H25FN4
Molecular Weight316.42 g/mol
Exact Mass316.21
IUPAC Name2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCC(C)C)nc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C18H25FN4/c1-13(2)8-10-20-17-12-14(3)22-18(23-17)21-11-9-15-4-6-16(19)7-5-15/h4-7,12-13H,8-11H2,1-3H3,(H2,20,21,22,23)
InChIKeyZBJSNWFSICMMLO-UHFFFAOYSA-N
XLogP4.04
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908502
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920032
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920850
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920736
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915799
4-N-(2,5-dimethylphenyl)-2-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920871
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112920864
4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112915511
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912428
4-N-(2,4-dimethylphenyl)-2-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920870
6-methyl-4-N-(3-methylbutyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907298
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112918678

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine (CID 112920855) is 2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine is Cc1cc(NCCC(C)C)nc(NCCc2ccc(F)cc2)n1.
What is the InChIKey of 2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is ZBJSNWFSICMMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4/c1-13(2)8-10-20-17-12-14(3)22-18(23-17)21-11-9-15-4-6-16(19)7-5-15/h4-7,12-13H,8-11H2,1-3H3,(H2,20,21,22,23).
What are the key properties of 2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine has a molecular weight of 316.42 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112920855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).