2-[4-[2-(2-methoxy-4-pyridinyl)imidazol-1-yl]piperidin-1-yl]pyrimidine

C18H20N6O — CID 154566004

IUPAC2-[4-[2-(2-methoxy-4-pyridinyl)imidazol-1-yl]piperidin-1-yl]pyrimidine
SMILESCOc1cc(-c2nccn2C2CCN(c3ncccn3)CC2)ccn1
InChIInChI=1S/C18H20N6O/c1-25-16-13-14(3-8-19-16)17-20-9-12-24(17)15-4-10-23(11-5-15)18-21-6-2-7-22-18/h2-3,6-9,12-13,15H,4-5,10-11H2,1H3
InChIKeyVPAWHGDDPSBUBK-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.59
Rot. Bonds4

About 2-[4-[2-(2-methoxy-4-pyridinyl)imidazol-1-yl]piperidin-1-yl]pyrimidine

2-[4-[2-(2-methoxy-4-pyridinyl)imidazol-1-yl]piperidin-1-yl]pyrimidine (PubChem CID 154566004) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[4-[2-(2-methoxy-4-pyridinyl)imidazol-1-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[2-(2-methoxy-4-pyridinyl)imidazol-1-yl]piperidin-1-yl]pyrimidine
PubChem CID154566004
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2-[4-[2-(2-methoxy-4-pyridinyl)imidazol-1-yl]piperidin-1-yl]pyrimidine
SMILESCOc1cc(-c2nccn2C2CCN(c3ncccn3)CC2)ccn1
InChIInChI=1S/C18H20N6O/c1-25-16-13-14(3-8-19-16)17-20-9-12-24(17)15-4-10-23(11-5-15)18-21-6-2-7-22-18/h2-3,6-9,12-13,15H,4-5,10-11H2,1H3
InChIKeyVPAWHGDDPSBUBK-UHFFFAOYSA-N
XLogP2.59
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

formic acid;2-[4-[2-(7-methoxy-1,3-benzodioxol-5-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine
CID 154923455
2-[3-[2-(7-methoxy-1,3-benzodioxol-5-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine
CID 70787827
2-methoxy-5-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine
CID 165419000
4-[1-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)imidazol-2-yl]-2-methoxypyridine
CID 146044872
3-[2-(3-methoxyphenyl)imidazol-1-yl]-1-methylpiperidine
CID 154817064
2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine
CID 24737031
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrole-2-carboxylic acid
CID 62716926
1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole
CID 155909433
1-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]pyrazol-3-amine
CID 107110261
1-[3-(1-cyclopropylimidazol-2-yl)phenyl]-N,N-dimethylmethanamine
CID 155919706
6-methoxy-1-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrido[2,3-b]pyrazine-2,3-dione
CID 170600711

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methoxy-4-pyridinyl)imidazol-1-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[2-(2-methoxy-4-pyridinyl)imidazol-1-yl]piperidin-1-yl]pyrimidine (CID 154566004) is 2-[4-[2-(2-methoxy-4-pyridinyl)imidazol-1-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[2-(2-methoxy-4-pyridinyl)imidazol-1-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[2-(2-methoxy-4-pyridinyl)imidazol-1-yl]piperidin-1-yl]pyrimidine is COc1cc(-c2nccn2C2CCN(c3ncccn3)CC2)ccn1.
What is the InChIKey of 2-[4-[2-(2-methoxy-4-pyridinyl)imidazol-1-yl]piperidin-1-yl]pyrimidine?
The InChIKey is VPAWHGDDPSBUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-25-16-13-14(3-8-19-16)17-20-9-12-24(17)15-4-10-23(11-5-15)18-21-6-2-7-22-18/h2-3,6-9,12-13,15H,4-5,10-11H2,1H3.
What are the key properties of 2-[4-[2-(2-methoxy-4-pyridinyl)imidazol-1-yl]piperidin-1-yl]pyrimidine?
2-[4-[2-(2-methoxy-4-pyridinyl)imidazol-1-yl]piperidin-1-yl]pyrimidine has a molecular weight of 336.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methoxy-4-pyridinyl)imidazol-1-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 154566004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).