4-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclohexane-1,4-diamine

C13H19F3N4 — CID 56864169

IUPAC4-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2nccc(CCC(F)(F)F)n2)CC1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)7-5-11-6-8-18-12(20-11)19-10-3-1-9(17)2-4-10/h6,8-10H,1-5,7,17H2,(H,18,19,20)
InChIKeyYDGFPJBJSQADCM-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.65
Rot. Bonds4

About 4-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclohexane-1,4-diamine

4-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclohexane-1,4-diamine (PubChem CID 56864169) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
PubChem CID56864169
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name4-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2nccc(CCC(F)(F)F)n2)CC1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)7-5-11-6-8-18-12(20-11)19-10-3-1-9(17)2-4-10/h6,8-10H,1-5,7,17H2,(H,18,19,20)
InChIKeyYDGFPJBJSQADCM-UHFFFAOYSA-N
XLogP2.65
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclohexane-1,4-diamine (CID 56864169) is 4-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclohexane-1,4-diamine is NC1CCC(Nc2nccc(CCC(F)(F)F)n2)CC1.
What is the InChIKey of 4-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclohexane-1,4-diamine?
The InChIKey is YDGFPJBJSQADCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c14-13(15,16)7-5-11-6-8-18-12(20-11)19-10-3-1-9(17)2-4-10/h6,8-10H,1-5,7,17H2,(H,18,19,20).
What are the key properties of 4-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclohexane-1,4-diamine?
4-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclohexane-1,4-diamine has a molecular weight of 288.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 56864169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).