4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine

C9H12ClN5O — CID 4810

💊View drug profile → moxonidine
IUPAC4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine
SMILESCOc1nc(C)nc(Cl)c1NC1=NCCN1
InChIInChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)
InChIKeyWPNJAUFVNXKLIM-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.82
Rot. Bonds2

About 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine

4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine (PubChem CID 4810) has the molecular formula C9H12ClN5O and a molecular weight of 241.68 g/mol. Its IUPAC name is 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine
PubChem CID4810
Molecular FormulaC9H12ClN5O
Molecular Weight241.68 g/mol
Exact Mass241.07
IUPAC Name4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine
SMILESCOc1nc(C)nc(Cl)c1NC1=NCCN1
InChIInChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)
InChIKeyWPNJAUFVNXKLIM-UHFFFAOYSA-N
XLogP0.82
TPSA71.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Moxonidine hydrochloride
CID 11231255
N-(imidazolidin-2-ylidene)-4,6-dimethoxy-2-methylpyrimidin-5-amine
CID 67364637
Physiotens
CID 6917782
4-Chloro-2-(difluoromethyl)-6-methoxypyrimidin-5-amine
CID 171716703
4-(4-Chloro-2,6-dimethoxypyrimidin-5-yl)morpholine
CID 135006488
4-Chloro-6-methoxy-2-methylpyrimidin-5-amine
CID 4537748
Hydroxymethyl moxonidine
CID 9838017
Hydroxy moxonidine
CID 11139776
1-[2-[(4-Chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone
CID 90645952
Moxonidine hydrochloride monohydrate
CID 139199394
Moxonidine metabolite M4
CID 11780715
4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine chloride
CID 45114196

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine?
The IUPAC name of 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine (CID 4810) is 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine.
What is the SMILES notation for 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine?
The canonical SMILES for 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine is COc1nc(C)nc(Cl)c1NC1=NCCN1.
What is the InChIKey of 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine?
The InChIKey is WPNJAUFVNXKLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15).
What are the key properties of 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine?
4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine has a molecular weight of 241.68 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine is sourced from PubChem (CID 4810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).