4-N-[3-(difluoromethyl)cyclohexyl]pyrimidine-4,5,6-triamine

C11H17F2N5 — CID 142292870

IUPAC4-N-[3-(difluoromethyl)cyclohexyl]pyrimidine-4,5,6-triamine
SMILESNc1ncnc(NC2CCCC(C(F)F)C2)c1N
InChIInChI=1S/C11H17F2N5/c12-9(13)6-2-1-3-7(4-6)18-11-8(14)10(15)16-5-17-11/h5-7,9H,1-4,14H2,(H3,15,16,17,18)
InChIKeyAMXWVSZPYNJEAA-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.88
Rot. Bonds3

About 4-N-[3-(difluoromethyl)cyclohexyl]pyrimidine-4,5,6-triamine

4-N-[3-(difluoromethyl)cyclohexyl]pyrimidine-4,5,6-triamine (PubChem CID 142292870) has the molecular formula C11H17F2N5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-N-[3-(difluoromethyl)cyclohexyl]pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-[3-(difluoromethyl)cyclohexyl]pyrimidine-4,5,6-triamine
PubChem CID142292870
Molecular FormulaC11H17F2N5
Molecular Weight257.29 g/mol
Exact Mass257.15
IUPAC Name4-N-[3-(difluoromethyl)cyclohexyl]pyrimidine-4,5,6-triamine
SMILESNc1ncnc(NC2CCCC(C(F)F)C2)c1N
InChIInChI=1S/C11H17F2N5/c12-9(13)6-2-1-3-7(4-6)18-11-8(14)10(15)16-5-17-11/h5-7,9H,1-4,14H2,(H3,15,16,17,18)
InChIKeyAMXWVSZPYNJEAA-UHFFFAOYSA-N
XLogP1.88
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(difluoromethyl)cyclohexyl]pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-[3-(difluoromethyl)cyclohexyl]pyrimidine-4,5,6-triamine (CID 142292870) is 4-N-[3-(difluoromethyl)cyclohexyl]pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-[3-(difluoromethyl)cyclohexyl]pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-[3-(difluoromethyl)cyclohexyl]pyrimidine-4,5,6-triamine is Nc1ncnc(NC2CCCC(C(F)F)C2)c1N.
What is the InChIKey of 4-N-[3-(difluoromethyl)cyclohexyl]pyrimidine-4,5,6-triamine?
The InChIKey is AMXWVSZPYNJEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N5/c12-9(13)6-2-1-3-7(4-6)18-11-8(14)10(15)16-5-17-11/h5-7,9H,1-4,14H2,(H3,15,16,17,18).
What are the key properties of 4-N-[3-(difluoromethyl)cyclohexyl]pyrimidine-4,5,6-triamine?
4-N-[3-(difluoromethyl)cyclohexyl]pyrimidine-4,5,6-triamine has a molecular weight of 257.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(difluoromethyl)cyclohexyl]pyrimidine-4,5,6-triamine is sourced from PubChem (CID 142292870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).