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

C9H12Cl2N5O- — CID 45114196

IUPAC4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine chloride
SMILESCOc1nc(C)nc(Cl)c1NC1=NCCN1.[Cl-]
InChIInChI=1S/C9H12ClN5O.ClH/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);1H/p-1
InChIKeyZZPAWQYZQVUVHX-UHFFFAOYSA-M
MW277.13 g/mol
LogP-2.18
Rot. Bonds2

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

4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine chloride (PubChem CID 45114196) has the molecular formula C9H12Cl2N5O- and a molecular weight of 277.13 g/mol. Its IUPAC name is 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine chloride.

Molecular Properties

Compound Name4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine chloride
PubChem CID45114196
Molecular FormulaC9H12Cl2N5O-
Molecular Weight277.13 g/mol
Exact Mass276.04
IUPAC Name4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine chloride
SMILESCOc1nc(C)nc(Cl)c1NC1=NCCN1.[Cl-]
InChIInChI=1S/C9H12ClN5O.ClH/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);1H/p-1
InChIKeyZZPAWQYZQVUVHX-UHFFFAOYSA-M
XLogP-2.18
TPSA71.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 5-2.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Moxonidine
CID 4810
Moxonidine hydrochloride
CID 11231255
Physiotens
CID 6917782
N-(imidazolidin-2-ylidene)-4,6-dimethoxy-2-methylpyrimidin-5-amine
CID 67364637
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

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 chloride?
The IUPAC name of 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine chloride (CID 45114196) is 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine chloride.
What is the SMILES notation for 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine chloride?
The canonical SMILES for 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine chloride is COc1nc(C)nc(Cl)c1NC1=NCCN1.[Cl-].
What is the InChIKey of 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine chloride?
The InChIKey is ZZPAWQYZQVUVHX-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12ClN5O.ClH/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);1H/p-1.
What are the key properties of 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine chloride?
4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine chloride has a molecular weight of 277.13 g/mol, XLogP of -2.18, 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 chloride is sourced from PubChem (CID 45114196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).