4-(3,3-difluoropentyl)-6-propan-2-ylpyrimidin-5-amine

C12H19F2N3 — CID 170041928

IUPAC4-(3,3-difluoropentyl)-6-propan-2-ylpyrimidin-5-amine
SMILESCCC(F)(F)CCc1ncnc(C(C)C)c1N
InChIInChI=1S/C12H19F2N3/c1-4-12(13,14)6-5-9-10(15)11(8(2)3)17-7-16-9/h7-8H,4-6,15H2,1-3H3
InChIKeyAMUNXPIZUZJGSF-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.16
Rot. Bonds5

About 4-(3,3-difluoropentyl)-6-propan-2-ylpyrimidin-5-amine

4-(3,3-difluoropentyl)-6-propan-2-ylpyrimidin-5-amine (PubChem CID 170041928) has the molecular formula C12H19F2N3 and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-(3,3-difluoropentyl)-6-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(3,3-difluoropentyl)-6-propan-2-ylpyrimidin-5-amine
PubChem CID170041928
Molecular FormulaC12H19F2N3
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name4-(3,3-difluoropentyl)-6-propan-2-ylpyrimidin-5-amine
SMILESCCC(F)(F)CCc1ncnc(C(C)C)c1N
InChIInChI=1S/C12H19F2N3/c1-4-12(13,14)6-5-9-10(15)11(8(2)3)17-7-16-9/h7-8H,4-6,15H2,1-3H3
InChIKeyAMUNXPIZUZJGSF-UHFFFAOYSA-N
XLogP3.16
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropentyl)-6-propan-2-ylpyrimidin-5-amine?
The IUPAC name of 4-(3,3-difluoropentyl)-6-propan-2-ylpyrimidin-5-amine (CID 170041928) is 4-(3,3-difluoropentyl)-6-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 4-(3,3-difluoropentyl)-6-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for 4-(3,3-difluoropentyl)-6-propan-2-ylpyrimidin-5-amine is CCC(F)(F)CCc1ncnc(C(C)C)c1N.
What is the InChIKey of 4-(3,3-difluoropentyl)-6-propan-2-ylpyrimidin-5-amine?
The InChIKey is AMUNXPIZUZJGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3/c1-4-12(13,14)6-5-9-10(15)11(8(2)3)17-7-16-9/h7-8H,4-6,15H2,1-3H3.
What are the key properties of 4-(3,3-difluoropentyl)-6-propan-2-ylpyrimidin-5-amine?
4-(3,3-difluoropentyl)-6-propan-2-ylpyrimidin-5-amine has a molecular weight of 243.30 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropentyl)-6-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 170041928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).