4-(4,4-difluoropiperidin-1-yl)-5-methylpyrimidine

C10H13F2N3 — CID 118070997

IUPAC4-(4,4-difluoropiperidin-1-yl)-5-methylpyrimidine
SMILESCc1cncnc1N1CCC(F)(F)CC1
InChIInChI=1S/C10H13F2N3/c1-8-6-13-7-14-9(8)15-4-2-10(11,12)3-5-15/h6-7H,2-5H2,1H3
InChIKeyQQBPKJQENNTSHW-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.02
Rot. Bonds1

About 4-(4,4-difluoropiperidin-1-yl)-5-methylpyrimidine

4-(4,4-difluoropiperidin-1-yl)-5-methylpyrimidine (PubChem CID 118070997) has the molecular formula C10H13F2N3 and a molecular weight of 213.23 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-1-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-1-yl)-5-methylpyrimidine
PubChem CID118070997
Molecular FormulaC10H13F2N3
Molecular Weight213.23 g/mol
Exact Mass213.11
IUPAC Name4-(4,4-difluoropiperidin-1-yl)-5-methylpyrimidine
SMILESCc1cncnc1N1CCC(F)(F)CC1
InChIInChI=1S/C10H13F2N3/c1-8-6-13-7-14-9(8)15-4-2-10(11,12)3-5-15/h6-7H,2-5H2,1H3
InChIKeyQQBPKJQENNTSHW-UHFFFAOYSA-N
XLogP2.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine
CID 1714310
4-N-(2,2-dimethylpropyl)-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80818780
5-Methyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130908
Pyrimidine, 2-chloro-4-(dimethylamino)-5-methyl-
CID 214763
5-Bromo-2-(piperidin-1-yl)pyrimidine
CID 3614682
5-(Trifluoromethyl)pyrimidine
CID 15273573
2,4-Difluoro-5-methylpyrimidine
CID 336950
5-Fluoro-2-(piperidin-1-yl)pyrimidin-4-amine
CID 745185
2-Fluoro-5-methylpyrimidine
CID 23268885
2-Chloro-5-fluoro-4-piperidin-1-ylpyrimidine
CID 2338458
5-Methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 445780
4-Amino-2-(4-methyl-1-piperidinyl)-5-pyrimidinecarbonitrile
CID 25020934

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-5-methylpyrimidine?
The IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-5-methylpyrimidine (CID 118070997) is 4-(4,4-difluoropiperidin-1-yl)-5-methylpyrimidine.
What is the SMILES notation for 4-(4,4-difluoropiperidin-1-yl)-5-methylpyrimidine?
The canonical SMILES for 4-(4,4-difluoropiperidin-1-yl)-5-methylpyrimidine is Cc1cncnc1N1CCC(F)(F)CC1.
What is the InChIKey of 4-(4,4-difluoropiperidin-1-yl)-5-methylpyrimidine?
The InChIKey is QQBPKJQENNTSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3/c1-8-6-13-7-14-9(8)15-4-2-10(11,12)3-5-15/h6-7H,2-5H2,1H3.
What are the key properties of 4-(4,4-difluoropiperidin-1-yl)-5-methylpyrimidine?
4-(4,4-difluoropiperidin-1-yl)-5-methylpyrimidine has a molecular weight of 213.23 g/mol, XLogP of 2.02, 1 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)-5-methylpyrimidine is sourced from PubChem (CID 118070997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).