2-[2-fluoro-4-(2-methylbutan-2-yl)phenyl]-6-methyl-5-propan-2-ylpyrimidin-4-amine

C19H26FN3 — CID 155354355

IUPAC2-[2-fluoro-4-(2-methylbutan-2-yl)phenyl]-6-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCC(C)(C)c1ccc(-c2nc(C)c(C(C)C)c(N)n2)c(F)c1
InChIInChI=1S/C19H26FN3/c1-7-19(5,6)13-8-9-14(15(20)10-13)18-22-12(4)16(11(2)3)17(21)23-18/h8-11H,7H2,1-6H3,(H2,21,22,23)
InChIKeyOBTQZUAKASAWAX-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.98
Rot. Bonds4

About 2-[2-fluoro-4-(2-methylbutan-2-yl)phenyl]-6-methyl-5-propan-2-ylpyrimidin-4-amine

2-[2-fluoro-4-(2-methylbutan-2-yl)phenyl]-6-methyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 155354355) has the molecular formula C19H26FN3 and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-[2-fluoro-4-(2-methylbutan-2-yl)phenyl]-6-methyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-fluoro-4-(2-methylbutan-2-yl)phenyl]-6-methyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID155354355
Molecular FormulaC19H26FN3
Molecular Weight315.44 g/mol
Exact Mass315.21
IUPAC Name2-[2-fluoro-4-(2-methylbutan-2-yl)phenyl]-6-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCC(C)(C)c1ccc(-c2nc(C)c(C(C)C)c(N)n2)c(F)c1
InChIInChI=1S/C19H26FN3/c1-7-19(5,6)13-8-9-14(15(20)10-13)18-22-12(4)16(11(2)3)17(21)23-18/h8-11H,7H2,1-6H3,(H2,21,22,23)
InChIKeyOBTQZUAKASAWAX-UHFFFAOYSA-N
XLogP4.98
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(2-methylbutan-2-yl)phenyl]-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-[2-fluoro-4-(2-methylbutan-2-yl)phenyl]-6-methyl-5-propan-2-ylpyrimidin-4-amine (CID 155354355) is 2-[2-fluoro-4-(2-methylbutan-2-yl)phenyl]-6-methyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[2-fluoro-4-(2-methylbutan-2-yl)phenyl]-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-[2-fluoro-4-(2-methylbutan-2-yl)phenyl]-6-methyl-5-propan-2-ylpyrimidin-4-amine is CCC(C)(C)c1ccc(-c2nc(C)c(C(C)C)c(N)n2)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-(2-methylbutan-2-yl)phenyl]-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is OBTQZUAKASAWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3/c1-7-19(5,6)13-8-9-14(15(20)10-13)18-22-12(4)16(11(2)3)17(21)23-18/h8-11H,7H2,1-6H3,(H2,21,22,23).
What are the key properties of 2-[2-fluoro-4-(2-methylbutan-2-yl)phenyl]-6-methyl-5-propan-2-ylpyrimidin-4-amine?
2-[2-fluoro-4-(2-methylbutan-2-yl)phenyl]-6-methyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 315.44 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(2-methylbutan-2-yl)phenyl]-6-methyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 155354355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).