4-(4,4-difluoropiperidin-1-yl)-2-methyl-5-propylpyrimidine

C13H19F2N3 — CID 50982072

IUPAC4-(4,4-difluoropiperidin-1-yl)-2-methyl-5-propylpyrimidine
SMILESCCCc1cnc(C)nc1N1CCC(F)(F)CC1
InChIInChI=1S/C13H19F2N3/c1-3-4-11-9-16-10(2)17-12(11)18-7-5-13(14,15)6-8-18/h9H,3-8H2,1-2H3
InChIKeyUHVNPHMRDQNMIU-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.97
Rot. Bonds3

About 4-(4,4-difluoropiperidin-1-yl)-2-methyl-5-propylpyrimidine

4-(4,4-difluoropiperidin-1-yl)-2-methyl-5-propylpyrimidine (PubChem CID 50982072) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-1-yl)-2-methyl-5-propylpyrimidine.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-1-yl)-2-methyl-5-propylpyrimidine
PubChem CID50982072
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name4-(4,4-difluoropiperidin-1-yl)-2-methyl-5-propylpyrimidine
SMILESCCCc1cnc(C)nc1N1CCC(F)(F)CC1
InChIInChI=1S/C13H19F2N3/c1-3-4-11-9-16-10(2)17-12(11)18-7-5-13(14,15)6-8-18/h9H,3-8H2,1-2H3
InChIKeyUHVNPHMRDQNMIU-UHFFFAOYSA-N
XLogP2.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-2-methyl-5-propylpyrimidine?
The IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-2-methyl-5-propylpyrimidine (CID 50982072) is 4-(4,4-difluoropiperidin-1-yl)-2-methyl-5-propylpyrimidine.
What is the SMILES notation for 4-(4,4-difluoropiperidin-1-yl)-2-methyl-5-propylpyrimidine?
The canonical SMILES for 4-(4,4-difluoropiperidin-1-yl)-2-methyl-5-propylpyrimidine is CCCc1cnc(C)nc1N1CCC(F)(F)CC1.
What is the InChIKey of 4-(4,4-difluoropiperidin-1-yl)-2-methyl-5-propylpyrimidine?
The InChIKey is UHVNPHMRDQNMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c1-3-4-11-9-16-10(2)17-12(11)18-7-5-13(14,15)6-8-18/h9H,3-8H2,1-2H3.
What are the key properties of 4-(4,4-difluoropiperidin-1-yl)-2-methyl-5-propylpyrimidine?
4-(4,4-difluoropiperidin-1-yl)-2-methyl-5-propylpyrimidine has a molecular weight of 255.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidin-1-yl)-2-methyl-5-propylpyrimidine is sourced from PubChem (CID 50982072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).