1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine;hydrochloride

C10H15Cl2FN4 — CID 175069422

IUPAC1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine;hydrochloride
SMILESCl.NC1CCCC(Nc2nc(Cl)ncc2F)C1
InChIInChI=1S/C10H14ClFN4.ClH/c11-10-14-5-8(12)9(16-10)15-7-3-1-2-6(13)4-7;/h5-7H,1-4,13H2,(H,14,15,16);1H
InChIKeyDOSSHBKOJPDKRH-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.37
Rot. Bonds2

About 1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine;hydrochloride

1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine;hydrochloride (PubChem CID 175069422) has the molecular formula C10H15Cl2FN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine;hydrochloride
PubChem CID175069422
Molecular FormulaC10H15Cl2FN4
Molecular Weight281.16 g/mol
Exact Mass280.07
IUPAC Name1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine;hydrochloride
SMILESCl.NC1CCCC(Nc2nc(Cl)ncc2F)C1
InChIInChI=1S/C10H14ClFN4.ClH/c11-10-14-5-8(12)9(16-10)15-7-3-1-2-6(13)4-7;/h5-7H,1-4,13H2,(H,14,15,16);1H
InChIKeyDOSSHBKOJPDKRH-UHFFFAOYSA-N
XLogP2.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine;hydrochloride?
The IUPAC name of 1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine;hydrochloride (CID 175069422) is 1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine;hydrochloride.
What is the SMILES notation for 1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine;hydrochloride?
The canonical SMILES for 1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine;hydrochloride is Cl.NC1CCCC(Nc2nc(Cl)ncc2F)C1.
What is the InChIKey of 1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine;hydrochloride?
The InChIKey is DOSSHBKOJPDKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN4.ClH/c11-10-14-5-8(12)9(16-10)15-7-3-1-2-6(13)4-7;/h5-7H,1-4,13H2,(H,14,15,16);1H.
What are the key properties of 1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine;hydrochloride?
1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine;hydrochloride has a molecular weight of 281.16 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine;hydrochloride is sourced from PubChem (CID 175069422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).