4-imidazol-1-yl-6-methoxypyrimidine

C8H8N4O — CID 3087488

IUPAC4-imidazol-1-yl-6-methoxypyrimidine
SMILESCOc1cc(-n2ccnc2)ncn1
InChIInChI=1S/C8H8N4O/c1-13-8-4-7(10-5-11-8)12-3-2-9-6-12/h2-6H,1H3
InChIKeyJZJJPJWXORKLGK-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.67
Rot. Bonds2

About 4-imidazol-1-yl-6-methoxypyrimidine

4-imidazol-1-yl-6-methoxypyrimidine (PubChem CID 3087488) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-methoxypyrimidine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-methoxypyrimidine
PubChem CID3087488
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name4-imidazol-1-yl-6-methoxypyrimidine
SMILESCOc1cc(-n2ccnc2)ncn1
InChIInChI=1S/C8H8N4O/c1-13-8-4-7(10-5-11-8)12-3-2-9-6-12/h2-6H,1H3
InChIKeyJZJJPJWXORKLGK-UHFFFAOYSA-N
XLogP0.67
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-2-methylpyrimidine
CID 535905
Ethyl-(3H-imidazol-4-ylmethyl)-(4-methoxy-pyrimidin-2-yl)-amine
CID 59728070
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine
CID 50962076
2-[4-[(1-Ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-4-methoxypyrimidine
CID 72144500
4-(3-{1-[2-(dimethylamino)ethyl]-1H-imidazol-2-yl}-1-piperidinyl)-6-methoxy-2-pyrimidinamine
CID 72844355
(2-{2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-1H-imidazol-1-yl}ethyl)dimethylamine
CID 72874813
4-methoxy-6-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyrimidin-2-amine
CID 72910943
4-(4-{1-[3-(dimethylamino)propyl]-1H-imidazol-2-yl}-1-piperidinyl)-6-methoxy-2-pyrimidinamine
CID 72919432
4-methoxy-N,N-dimethylpyrimidin-2-amine
CID 12229622
5,7-Dimethoxyimidazo[1,2-C]pyrimidine
CID 13394199
N~4~-(1H-imidazol-2-ylmethyl)-6-isopropoxy-N~4~-methylpyrimidine-2,4-diamine
CID 50949997
7-(4-methoxypyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 86774428

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-methoxypyrimidine?
The IUPAC name of 4-imidazol-1-yl-6-methoxypyrimidine (CID 3087488) is 4-imidazol-1-yl-6-methoxypyrimidine.
What is the SMILES notation for 4-imidazol-1-yl-6-methoxypyrimidine?
The canonical SMILES for 4-imidazol-1-yl-6-methoxypyrimidine is COc1cc(-n2ccnc2)ncn1.
What is the InChIKey of 4-imidazol-1-yl-6-methoxypyrimidine?
The InChIKey is JZJJPJWXORKLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-13-8-4-7(10-5-11-8)12-3-2-9-6-12/h2-6H,1H3.
What are the key properties of 4-imidazol-1-yl-6-methoxypyrimidine?
4-imidazol-1-yl-6-methoxypyrimidine has a molecular weight of 176.18 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-methoxypyrimidine is sourced from PubChem (CID 3087488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).