5-(6-amino-3-pyridinyl)-4-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-2-amine

C15H18F2N6 — CID 70671706

IUPAC5-(6-amino-3-pyridinyl)-4-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-2-amine
SMILESCc1nc(N)nc(N2CCC(F)(F)CC2)c1-c1ccc(N)nc1
InChIInChI=1S/C15H18F2N6/c1-9-12(10-2-3-11(18)20-8-10)13(22-14(19)21-9)23-6-4-15(16,17)5-7-23/h2-3,8H,4-7H2,1H3,(H2,18,20)(H2,19,21,22)
InChIKeyFDPFNPBGUIEIEY-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.25
Rot. Bonds2

About 5-(6-amino-3-pyridinyl)-4-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-2-amine

5-(6-amino-3-pyridinyl)-4-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 70671706) has the molecular formula C15H18F2N6 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-(6-amino-3-pyridinyl)-4-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(6-amino-3-pyridinyl)-4-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-2-amine
PubChem CID70671706
Molecular FormulaC15H18F2N6
Molecular Weight320.35 g/mol
Exact Mass320.16
IUPAC Name5-(6-amino-3-pyridinyl)-4-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-2-amine
SMILESCc1nc(N)nc(N2CCC(F)(F)CC2)c1-c1ccc(N)nc1
InChIInChI=1S/C15H18F2N6/c1-9-12(10-2-3-11(18)20-8-10)13(22-14(19)21-9)23-6-4-15(16,17)5-7-23/h2-3,8H,4-7H2,1H3,(H2,18,20)(H2,19,21,22)
InChIKeyFDPFNPBGUIEIEY-UHFFFAOYSA-N
XLogP2.25
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-3-pyridinyl)-4-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of 5-(6-amino-3-pyridinyl)-4-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-2-amine (CID 70671706) is 5-(6-amino-3-pyridinyl)-4-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(6-amino-3-pyridinyl)-4-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 5-(6-amino-3-pyridinyl)-4-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-2-amine is Cc1nc(N)nc(N2CCC(F)(F)CC2)c1-c1ccc(N)nc1.
What is the InChIKey of 5-(6-amino-3-pyridinyl)-4-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-2-amine?
The InChIKey is FDPFNPBGUIEIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N6/c1-9-12(10-2-3-11(18)20-8-10)13(22-14(19)21-9)23-6-4-15(16,17)5-7-23/h2-3,8H,4-7H2,1H3,(H2,18,20)(H2,19,21,22).
What are the key properties of 5-(6-amino-3-pyridinyl)-4-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-2-amine?
5-(6-amino-3-pyridinyl)-4-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-2-amine has a molecular weight of 320.35 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-3-pyridinyl)-4-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 70671706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).