4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine

C17H17F2N7 — CID 154882855

IUPAC4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine
SMILESCc1nc(C(F)F)cc(N2CCN(c3ncnc4ncccc34)CC2)n1
InChIInChI=1S/C17H17F2N7/c1-11-23-13(15(18)19)9-14(24-11)25-5-7-26(8-6-25)17-12-3-2-4-20-16(12)21-10-22-17/h2-4,9-10,15H,5-8H2,1H3
InChIKeyZFOSYIAAYDGKCA-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.39
Rot. Bonds3

About 4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine

4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine (PubChem CID 154882855) has the molecular formula C17H17F2N7 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine
PubChem CID154882855
Molecular FormulaC17H17F2N7
Molecular Weight357.37 g/mol
Exact Mass357.15
IUPAC Name4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine
SMILESCc1nc(C(F)F)cc(N2CCN(c3ncnc4ncccc34)CC2)n1
InChIInChI=1S/C17H17F2N7/c1-11-23-13(15(18)19)9-14(24-11)25-5-7-26(8-6-25)17-12-3-2-4-20-16(12)21-10-22-17/h2-4,9-10,15H,5-8H2,1H3
InChIKeyZFOSYIAAYDGKCA-UHFFFAOYSA-N
XLogP2.39
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]quinazoline
CID 154882816
N,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine
CID 163346447
4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine
CID 163345177
4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 154829246
4-[4-[6-(difluoromethyl)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
CID 155798953
2-(2,2-difluoroethyl)-5-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one
CID 171997643
4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-d]pyrimidine
CID 126893689
4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 154829274
4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171995161
4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine
CID 166605509
4-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidine
CID 126873131
4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrido[2,3-d]pyrimidine
CID 126934207

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine (CID 154882855) is 4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine is Cc1nc(C(F)F)cc(N2CCN(c3ncnc4ncccc34)CC2)n1.
What is the InChIKey of 4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine?
The InChIKey is ZFOSYIAAYDGKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N7/c1-11-23-13(15(18)19)9-14(24-11)25-5-7-26(8-6-25)17-12-3-2-4-20-16(12)21-10-22-17/h2-4,9-10,15H,5-8H2,1H3.
What are the key properties of 4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine?
4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine has a molecular weight of 357.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 154882855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).