4-N-(5-fluoropyrimidin-2-yl)cyclohexane-1,4-diamine

C10H15FN4 — CID 66569752

IUPAC4-N-(5-fluoropyrimidin-2-yl)cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ncc(F)cn2)CC1
InChIInChI=1S/C10H15FN4/c11-7-5-13-10(14-6-7)15-9-3-1-8(12)2-4-9/h5-6,8-9H,1-4,12H2,(H,13,14,15)
InChIKeyDWNUAKHSEZZGED-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.30
Rot. Bonds2

About 4-N-(5-fluoropyrimidin-2-yl)cyclohexane-1,4-diamine

4-N-(5-fluoropyrimidin-2-yl)cyclohexane-1,4-diamine (PubChem CID 66569752) has the molecular formula C10H15FN4 and a molecular weight of 210.26 g/mol. Its IUPAC name is 4-N-(5-fluoropyrimidin-2-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-fluoropyrimidin-2-yl)cyclohexane-1,4-diamine
PubChem CID66569752
Molecular FormulaC10H15FN4
Molecular Weight210.26 g/mol
Exact Mass210.13
IUPAC Name4-N-(5-fluoropyrimidin-2-yl)cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ncc(F)cn2)CC1
InChIInChI=1S/C10H15FN4/c11-7-5-13-10(14-6-7)15-9-3-1-8(12)2-4-9/h5-6,8-9H,1-4,12H2,(H,13,14,15)
InChIKeyDWNUAKHSEZZGED-UHFFFAOYSA-N
XLogP1.30
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-fluoropyrimidin-2-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(5-fluoropyrimidin-2-yl)cyclohexane-1,4-diamine (CID 66569752) is 4-N-(5-fluoropyrimidin-2-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(5-fluoropyrimidin-2-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(5-fluoropyrimidin-2-yl)cyclohexane-1,4-diamine is NC1CCC(Nc2ncc(F)cn2)CC1.
What is the InChIKey of 4-N-(5-fluoropyrimidin-2-yl)cyclohexane-1,4-diamine?
The InChIKey is DWNUAKHSEZZGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4/c11-7-5-13-10(14-6-7)15-9-3-1-8(12)2-4-9/h5-6,8-9H,1-4,12H2,(H,13,14,15).
What are the key properties of 4-N-(5-fluoropyrimidin-2-yl)cyclohexane-1,4-diamine?
4-N-(5-fluoropyrimidin-2-yl)cyclohexane-1,4-diamine has a molecular weight of 210.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-fluoropyrimidin-2-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 66569752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).