1-[2-chloro-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-5,5-difluoro-N-methylpiperidin-3-amine

C14H17ClF2N6 — CID 146245412

IUPAC1-[2-chloro-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-5,5-difluoro-N-methylpiperidin-3-amine
SMILESCNC1CN(c2nc(Cl)ncc2-c2cnn(C)c2)CC(F)(F)C1
InChIInChI=1S/C14H17ClF2N6/c1-18-10-3-14(16,17)8-23(7-10)12-11(5-19-13(15)21-12)9-4-20-22(2)6-9/h4-6,10,18H,3,7-8H2,1-2H3
InChIKeyBAJXXLZXGQTAAV-UHFFFAOYSA-N
MW342.78 g/mol
LogP1.96
Rot. Bonds3

About 1-[2-chloro-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-5,5-difluoro-N-methylpiperidin-3-amine

1-[2-chloro-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-5,5-difluoro-N-methylpiperidin-3-amine (PubChem CID 146245412) has the molecular formula C14H17ClF2N6 and a molecular weight of 342.78 g/mol. Its IUPAC name is 1-[2-chloro-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-5,5-difluoro-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[2-chloro-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-5,5-difluoro-N-methylpiperidin-3-amine
PubChem CID146245412
Molecular FormulaC14H17ClF2N6
Molecular Weight342.78 g/mol
Exact Mass342.12
IUPAC Name1-[2-chloro-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-5,5-difluoro-N-methylpiperidin-3-amine
SMILESCNC1CN(c2nc(Cl)ncc2-c2cnn(C)c2)CC(F)(F)C1
InChIInChI=1S/C14H17ClF2N6/c1-18-10-3-14(16,17)8-23(7-10)12-11(5-19-13(15)21-12)9-4-20-22(2)6-9/h4-6,10,18H,3,7-8H2,1-2H3
InChIKeyBAJXXLZXGQTAAV-UHFFFAOYSA-N
XLogP1.96
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-5,5-difluoro-N-methylpiperidin-3-amine?
The IUPAC name of 1-[2-chloro-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-5,5-difluoro-N-methylpiperidin-3-amine (CID 146245412) is 1-[2-chloro-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-5,5-difluoro-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[2-chloro-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-5,5-difluoro-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[2-chloro-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-5,5-difluoro-N-methylpiperidin-3-amine is CNC1CN(c2nc(Cl)ncc2-c2cnn(C)c2)CC(F)(F)C1.
What is the InChIKey of 1-[2-chloro-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-5,5-difluoro-N-methylpiperidin-3-amine?
The InChIKey is BAJXXLZXGQTAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N6/c1-18-10-3-14(16,17)8-23(7-10)12-11(5-19-13(15)21-12)9-4-20-22(2)6-9/h4-6,10,18H,3,7-8H2,1-2H3.
What are the key properties of 1-[2-chloro-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-5,5-difluoro-N-methylpiperidin-3-amine?
1-[2-chloro-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-5,5-difluoro-N-methylpiperidin-3-amine has a molecular weight of 342.78 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-5,5-difluoro-N-methylpiperidin-3-amine is sourced from PubChem (CID 146245412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).