2,4-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrimidine-5-carboxamide

C15H14Cl2F2N6O — CID 177296640

IUPAC2,4-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(Cl)nc2Cl)nc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C15H14Cl2F2N6O/c1-8-6-10(22-12(26)9-7-20-13(17)24-11(9)16)23-14(21-8)25-4-2-15(18,19)3-5-25/h6-7H,2-5H2,1H3,(H,21,22,23,26)
InChIKeyPZTXZHFVNJIOFB-UHFFFAOYSA-N
MW403.22 g/mol
LogP3.37
Rot. Bonds3

About 2,4-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrimidine-5-carboxamide

2,4-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrimidine-5-carboxamide (PubChem CID 177296640) has the molecular formula C15H14Cl2F2N6O and a molecular weight of 403.22 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrimidine-5-carboxamide
PubChem CID177296640
Molecular FormulaC15H14Cl2F2N6O
Molecular Weight403.22 g/mol
Exact Mass402.06
IUPAC Name2,4-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(Cl)nc2Cl)nc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C15H14Cl2F2N6O/c1-8-6-10(22-12(26)9-7-20-13(17)24-11(9)16)23-14(21-8)25-4-2-15(18,19)3-5-25/h6-7H,2-5H2,1H3,(H,21,22,23,26)
InChIKeyPZTXZHFVNJIOFB-UHFFFAOYSA-N
XLogP3.37
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.22
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrimidine-5-carboxamide (CID 177296640) is 2,4-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrimidine-5-carboxamide is Cc1cc(NC(=O)c2cnc(Cl)nc2Cl)nc(N2CCC(F)(F)CC2)n1.
What is the InChIKey of 2,4-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrimidine-5-carboxamide?
The InChIKey is PZTXZHFVNJIOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2F2N6O/c1-8-6-10(22-12(26)9-7-20-13(17)24-11(9)16)23-14(21-8)25-4-2-15(18,19)3-5-25/h6-7H,2-5H2,1H3,(H,21,22,23,26).
What are the key properties of 2,4-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrimidine-5-carboxamide?
2,4-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrimidine-5-carboxamide has a molecular weight of 403.22 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 177296640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).