6-(3,3-difluoropiperidin-1-yl)-4-N-methylpyrimidine-2,4-diamine

C10H15F2N5 — CID 122456434

IUPAC6-(3,3-difluoropiperidin-1-yl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(N2CCCC(F)(F)C2)nc(N)n1
InChIInChI=1S/C10H15F2N5/c1-14-7-5-8(16-9(13)15-7)17-4-2-3-10(11,12)6-17/h5H,2-4,6H2,1H3,(H3,13,14,15,16)
InChIKeyWCCWAHHCOUMQFL-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.34
Rot. Bonds2

About 6-(3,3-difluoropiperidin-1-yl)-4-N-methylpyrimidine-2,4-diamine

6-(3,3-difluoropiperidin-1-yl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 122456434) has the molecular formula C10H15F2N5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 6-(3,3-difluoropiperidin-1-yl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3,3-difluoropiperidin-1-yl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID122456434
Molecular FormulaC10H15F2N5
Molecular Weight243.26 g/mol
Exact Mass243.13
IUPAC Name6-(3,3-difluoropiperidin-1-yl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(N2CCCC(F)(F)C2)nc(N)n1
InChIInChI=1S/C10H15F2N5/c1-14-7-5-8(16-9(13)15-7)17-4-2-3-10(11,12)6-17/h5H,2-4,6H2,1H3,(H3,13,14,15,16)
InChIKeyWCCWAHHCOUMQFL-UHFFFAOYSA-N
XLogP1.34
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropiperidin-1-yl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-(3,3-difluoropiperidin-1-yl)-4-N-methylpyrimidine-2,4-diamine (CID 122456434) is 6-(3,3-difluoropiperidin-1-yl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3,3-difluoropiperidin-1-yl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(3,3-difluoropiperidin-1-yl)-4-N-methylpyrimidine-2,4-diamine is CNc1cc(N2CCCC(F)(F)C2)nc(N)n1.
What is the InChIKey of 6-(3,3-difluoropiperidin-1-yl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is WCCWAHHCOUMQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N5/c1-14-7-5-8(16-9(13)15-7)17-4-2-3-10(11,12)6-17/h5H,2-4,6H2,1H3,(H3,13,14,15,16).
What are the key properties of 6-(3,3-difluoropiperidin-1-yl)-4-N-methylpyrimidine-2,4-diamine?
6-(3,3-difluoropiperidin-1-yl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 243.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoropiperidin-1-yl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 122456434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).