6-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine

C12H16F2N4 — CID 152818233

IUPAC6-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine
SMILESNc1cc(C2CC2)nc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C12H16F2N4/c13-12(14)3-5-18(6-4-12)11-16-9(8-1-2-8)7-10(15)17-11/h7-8H,1-6H2,(H2,15,16,17)
InChIKeySSZNMTMRUUUPPH-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.17
Rot. Bonds2

About 6-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine

6-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine (PubChem CID 152818233) has the molecular formula C12H16F2N4 and a molecular weight of 254.28 g/mol. Its IUPAC name is 6-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine
PubChem CID152818233
Molecular FormulaC12H16F2N4
Molecular Weight254.28 g/mol
Exact Mass254.13
IUPAC Name6-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine
SMILESNc1cc(C2CC2)nc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C12H16F2N4/c13-12(14)3-5-18(6-4-12)11-16-9(8-1-2-8)7-10(15)17-11/h7-8H,1-6H2,(H2,15,16,17)
InChIKeySSZNMTMRUUUPPH-UHFFFAOYSA-N
XLogP2.17
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine (CID 152818233) is 6-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine is Nc1cc(C2CC2)nc(N2CCC(F)(F)CC2)n1.
What is the InChIKey of 6-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is SSZNMTMRUUUPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4/c13-12(14)3-5-18(6-4-12)11-16-9(8-1-2-8)7-10(15)17-11/h7-8H,1-6H2,(H2,15,16,17).
What are the key properties of 6-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine?
6-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 254.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 152818233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).