4-[4-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-2,4-diamine

C11H17F3N4 — CID 154355960

IUPAC4-[4-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(C2CCC(C(F)(F)F)CC2)C=CN1
InChIInChI=1S/C11H17F3N4/c12-11(13,14)8-3-1-7(2-4-8)10(16)5-6-17-9(15)18-10/h5-8H,1-4,16H2,(H3,15,17,18)
InChIKeyMDHACDLEGFIIRE-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.44
Rot. Bonds1

About 4-[4-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-2,4-diamine

4-[4-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-2,4-diamine (PubChem CID 154355960) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-2,4-diamine
PubChem CID154355960
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name4-[4-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(C2CCC(C(F)(F)F)CC2)C=CN1
InChIInChI=1S/C11H17F3N4/c12-11(13,14)8-3-1-7(2-4-8)10(16)5-6-17-9(15)18-10/h5-8H,1-4,16H2,(H3,15,17,18)
InChIKeyMDHACDLEGFIIRE-UHFFFAOYSA-N
XLogP1.44
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-[4-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-2,4-diamine (CID 154355960) is 4-[4-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-[4-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-[4-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-2,4-diamine is NC1=NC(N)(C2CCC(C(F)(F)F)CC2)C=CN1.
What is the InChIKey of 4-[4-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-2,4-diamine?
The InChIKey is MDHACDLEGFIIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c12-11(13,14)8-3-1-7(2-4-8)10(16)5-6-17-9(15)18-10/h5-8H,1-4,16H2,(H3,15,17,18).
What are the key properties of 4-[4-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-2,4-diamine?
4-[4-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-2,4-diamine has a molecular weight of 262.28 g/mol, XLogP of 1.44, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154355960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).