4-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine

C11H16F3N5 — CID 80846798

IUPAC4-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine
SMILESCNc1cc(N2CCC(C(F)(F)F)CC2)nc(N)n1
InChIInChI=1S/C11H16F3N5/c1-16-8-6-9(18-10(15)17-8)19-4-2-7(3-5-19)11(12,13)14/h6-7H,2-5H2,1H3,(H3,15,16,17,18)
InChIKeyNLECWNMWELTJGH-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.88
Rot. Bonds2

About 4-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine

4-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine (PubChem CID 80846798) has the molecular formula C11H16F3N5 and a molecular weight of 275.28 g/mol. Its IUPAC name is 4-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine
PubChem CID80846798
Molecular FormulaC11H16F3N5
Molecular Weight275.28 g/mol
Exact Mass275.14
IUPAC Name4-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine
SMILESCNc1cc(N2CCC(C(F)(F)F)CC2)nc(N)n1
InChIInChI=1S/C11H16F3N5/c1-16-8-6-9(18-10(15)17-8)19-4-2-7(3-5-19)11(12,13)14/h6-7H,2-5H2,1H3,(H3,15,16,17,18)
InChIKeyNLECWNMWELTJGH-UHFFFAOYSA-N
XLogP1.88
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine (CID 80846798) is 4-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine is CNc1cc(N2CCC(C(F)(F)F)CC2)nc(N)n1.
What is the InChIKey of 4-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is NLECWNMWELTJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5/c1-16-8-6-9(18-10(15)17-8)19-4-2-7(3-5-19)11(12,13)14/h6-7H,2-5H2,1H3,(H3,15,16,17,18).
What are the key properties of 4-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine?
4-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 275.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80846798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).