N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

C17H25ClFIN4O — CID 110915705

IUPACN-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCC1CN(C(CNC2=NCCCN2)c2c(F)cccc2Cl)CCO1.I
InChIInChI=1S/C17H24ClFN4O.HI/c1-12-11-23(8-9-24-12)15(10-22-17-20-6-3-7-21-17)16-13(18)4-2-5-14(16)19;/h2,4-5,12,15H,3,6-11H2,1H3,(H2,20,21,22);1H
InChIKeyNCSRXIIWYZYORS-UHFFFAOYSA-N
MW482.77 g/mol
LogP2.80
Rot. Bonds4

About N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 110915705) has the molecular formula C17H25ClFIN4O and a molecular weight of 482.77 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID110915705
Molecular FormulaC17H25ClFIN4O
Molecular Weight482.77 g/mol
Exact Mass482.07
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCC1CN(C(CNC2=NCCCN2)c2c(F)cccc2Cl)CCO1.I
InChIInChI=1S/C17H24ClFN4O.HI/c1-12-11-23(8-9-24-12)15(10-22-17-20-6-3-7-21-17)16-13(18)4-2-5-14(16)19;/h2,4-5,12,15H,3,6-11H2,1H3,(H2,20,21,22);1H
InChIKeyNCSRXIIWYZYORS-UHFFFAOYSA-N
XLogP2.80
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.77
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 110915705) is N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is CC1CN(C(CNC2=NCCCN2)c2c(F)cccc2Cl)CCO1.I.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is NCSRXIIWYZYORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN4O.HI/c1-12-11-23(8-9-24-12)15(10-22-17-20-6-3-7-21-17)16-13(18)4-2-5-14(16)19;/h2,4-5,12,15H,3,6-11H2,1H3,(H2,20,21,22);1H.
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 482.77 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 110915705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).