5-fluoro-4-N-methyl-2-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidine-2,4-diamine

C15H26FN5 — CID 131925181

IUPAC5-fluoro-4-N-methyl-2-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCNc1nc(NCCC2CCCCN2C(C)C)ncc1F
InChIInChI=1S/C15H26FN5/c1-11(2)21-9-5-4-6-12(21)7-8-18-15-19-10-13(16)14(17-3)20-15/h10-12H,4-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyLIJSHBQGRRHROR-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.72
Rot. Bonds6

About 5-fluoro-4-N-methyl-2-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidine-2,4-diamine

5-fluoro-4-N-methyl-2-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 131925181) has the molecular formula C15H26FN5 and a molecular weight of 295.41 g/mol. Its IUPAC name is 5-fluoro-4-N-methyl-2-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-methyl-2-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID131925181
Molecular FormulaC15H26FN5
Molecular Weight295.41 g/mol
Exact Mass295.22
IUPAC Name5-fluoro-4-N-methyl-2-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCNc1nc(NCCC2CCCCN2C(C)C)ncc1F
InChIInChI=1S/C15H26FN5/c1-11(2)21-9-5-4-6-12(21)7-8-18-15-19-10-13(16)14(17-3)20-15/h10-12H,4-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyLIJSHBQGRRHROR-UHFFFAOYSA-N
XLogP2.72
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-methyl-2-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-methyl-2-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidine-2,4-diamine (CID 131925181) is 5-fluoro-4-N-methyl-2-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-methyl-2-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-methyl-2-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidine-2,4-diamine is CNc1nc(NCCC2CCCCN2C(C)C)ncc1F.
What is the InChIKey of 5-fluoro-4-N-methyl-2-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is LIJSHBQGRRHROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN5/c1-11(2)21-9-5-4-6-12(21)7-8-18-15-19-10-13(16)14(17-3)20-15/h10-12H,4-9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 5-fluoro-4-N-methyl-2-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidine-2,4-diamine?
5-fluoro-4-N-methyl-2-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 295.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-methyl-2-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 131925181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).