N-[(3,3-difluoropiperidin-4-yl)methyl]-5-fluoropyrimidin-2-amine

C10H13F3N4 — CID 134554871

IUPACN-[(3,3-difluoropiperidin-4-yl)methyl]-5-fluoropyrimidin-2-amine
SMILESFc1cnc(NCC2CCNCC2(F)F)nc1
InChIInChI=1S/C10H13F3N4/c11-8-4-16-9(17-5-8)15-3-7-1-2-14-6-10(7,12)13/h4-5,7,14H,1-3,6H2,(H,15,16,17)
InChIKeyJXWLTMAZSOTPTE-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.27
Rot. Bonds3

About N-[(3,3-difluoropiperidin-4-yl)methyl]-5-fluoropyrimidin-2-amine

N-[(3,3-difluoropiperidin-4-yl)methyl]-5-fluoropyrimidin-2-amine (PubChem CID 134554871) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is N-[(3,3-difluoropiperidin-4-yl)methyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3,3-difluoropiperidin-4-yl)methyl]-5-fluoropyrimidin-2-amine
PubChem CID134554871
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC NameN-[(3,3-difluoropiperidin-4-yl)methyl]-5-fluoropyrimidin-2-amine
SMILESFc1cnc(NCC2CCNCC2(F)F)nc1
InChIInChI=1S/C10H13F3N4/c11-8-4-16-9(17-5-8)15-3-7-1-2-14-6-10(7,12)13/h4-5,7,14H,1-3,6H2,(H,15,16,17)
InChIKeyJXWLTMAZSOTPTE-UHFFFAOYSA-N
XLogP1.27
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluoropiperidin-4-yl)methyl]-5-fluoropyrimidin-2-amine?
The IUPAC name of N-[(3,3-difluoropiperidin-4-yl)methyl]-5-fluoropyrimidin-2-amine (CID 134554871) is N-[(3,3-difluoropiperidin-4-yl)methyl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-[(3,3-difluoropiperidin-4-yl)methyl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-[(3,3-difluoropiperidin-4-yl)methyl]-5-fluoropyrimidin-2-amine is Fc1cnc(NCC2CCNCC2(F)F)nc1.
What is the InChIKey of N-[(3,3-difluoropiperidin-4-yl)methyl]-5-fluoropyrimidin-2-amine?
The InChIKey is JXWLTMAZSOTPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-8-4-16-9(17-5-8)15-3-7-1-2-14-6-10(7,12)13/h4-5,7,14H,1-3,6H2,(H,15,16,17).
What are the key properties of N-[(3,3-difluoropiperidin-4-yl)methyl]-5-fluoropyrimidin-2-amine?
N-[(3,3-difluoropiperidin-4-yl)methyl]-5-fluoropyrimidin-2-amine has a molecular weight of 246.24 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluoropiperidin-4-yl)methyl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 134554871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).