2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazole-4,5-diol

C9H12ClN5O3 — CID 11780715

IUPAC2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazole-4,5-diol
SMILESCOc1nc(C)nc(Cl)c1NC1=NC(O)C(O)N1
InChIInChI=1S/C9H12ClN5O3/c1-3-11-5(10)4(8(12-3)18-2)13-9-14-6(16)7(17)15-9/h6-7,16-17H,1-2H3,(H2,13,14,15)
InChIKeyAJLIQYQVWUFUFR-UHFFFAOYSA-N
MW273.68 g/mol
LogP-0.55
Rot. Bonds2

About 2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazole-4,5-diol

2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazole-4,5-diol (PubChem CID 11780715) has the molecular formula C9H12ClN5O3 and a molecular weight of 273.68 g/mol. Its IUPAC name is 2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazole-4,5-diol.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazole-4,5-diol
PubChem CID11780715
Molecular FormulaC9H12ClN5O3
Molecular Weight273.68 g/mol
Exact Mass273.06
IUPAC Name2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazole-4,5-diol
SMILESCOc1nc(C)nc(Cl)c1NC1=NC(O)C(O)N1
InChIInChI=1S/C9H12ClN5O3/c1-3-11-5(10)4(8(12-3)18-2)13-9-14-6(16)7(17)15-9/h6-7,16-17H,1-2H3,(H2,13,14,15)
InChIKeyAJLIQYQVWUFUFR-UHFFFAOYSA-N
XLogP-0.55
TPSA111.89 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazole-4,5-diol with MolForge

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Related Compounds

Moxonidine
CID 4810
Moxonidine hydrochloride
CID 11231255
N-(imidazolidin-2-ylidene)-4,6-dimethoxy-2-methylpyrimidin-5-amine
CID 67364637
Physiotens
CID 6917782
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
4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine chloride
CID 45114196
2-(4-Chloro-6-methoxy-2-methylpyrimidin-5-yl)guanidine
CID 10976855
4-chloro-2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyrimidin-5-amine
CID 12893578
CID 18934261
CID 18934261

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazole-4,5-diol?
The IUPAC name of 2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazole-4,5-diol (CID 11780715) is 2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazole-4,5-diol.
What is the SMILES notation for 2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazole-4,5-diol?
The canonical SMILES for 2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazole-4,5-diol is COc1nc(C)nc(Cl)c1NC1=NC(O)C(O)N1.
What is the InChIKey of 2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazole-4,5-diol?
The InChIKey is AJLIQYQVWUFUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5O3/c1-3-11-5(10)4(8(12-3)18-2)13-9-14-6(16)7(17)15-9/h6-7,16-17H,1-2H3,(H2,13,14,15).
What are the key properties of 2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazole-4,5-diol?
2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazole-4,5-diol has a molecular weight of 273.68 g/mol, XLogP of -0.55, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazole-4,5-diol is sourced from PubChem (CID 11780715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).