(4,4-difluoropiperidin-1-yl)-[6-(dimethylamino)pyrimidin-4-yl]methanone

C12H16F2N4O — CID 126857132

IUPAC(4,4-difluoropiperidin-1-yl)-[6-(dimethylamino)pyrimidin-4-yl]methanone
SMILESCN(C)c1cc(C(=O)N2CCC(F)(F)CC2)ncn1
InChIInChI=1S/C12H16F2N4O/c1-17(2)10-7-9(15-8-16-10)11(19)18-5-3-12(13,14)4-6-18/h7-8H,3-6H2,1-2H3
InChIKeySNCJBJPFQQHZLT-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.41
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-[6-(dimethylamino)pyrimidin-4-yl]methanone

(4,4-difluoropiperidin-1-yl)-[6-(dimethylamino)pyrimidin-4-yl]methanone (PubChem CID 126857132) has the molecular formula C12H16F2N4O and a molecular weight of 270.28 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[6-(dimethylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[6-(dimethylamino)pyrimidin-4-yl]methanone
PubChem CID126857132
Molecular FormulaC12H16F2N4O
Molecular Weight270.28 g/mol
Exact Mass270.13
IUPAC Name(4,4-difluoropiperidin-1-yl)-[6-(dimethylamino)pyrimidin-4-yl]methanone
SMILESCN(C)c1cc(C(=O)N2CCC(F)(F)CC2)ncn1
InChIInChI=1S/C12H16F2N4O/c1-17(2)10-7-9(15-8-16-10)11(19)18-5-3-12(13,14)4-6-18/h7-8H,3-6H2,1-2H3
InChIKeySNCJBJPFQQHZLT-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[6-(dimethylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[6-(dimethylamino)pyrimidin-4-yl]methanone (CID 126857132) is (4,4-difluoropiperidin-1-yl)-[6-(dimethylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[6-(dimethylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[6-(dimethylamino)pyrimidin-4-yl]methanone is CN(C)c1cc(C(=O)N2CCC(F)(F)CC2)ncn1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[6-(dimethylamino)pyrimidin-4-yl]methanone?
The InChIKey is SNCJBJPFQQHZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4O/c1-17(2)10-7-9(15-8-16-10)11(19)18-5-3-12(13,14)4-6-18/h7-8H,3-6H2,1-2H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[6-(dimethylamino)pyrimidin-4-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[6-(dimethylamino)pyrimidin-4-yl]methanone has a molecular weight of 270.28 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[6-(dimethylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 126857132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).