2-[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine

C18H22N8O2 — CID 110091061

IUPAC2-[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCC(c3nc(C)cc(-c4ncc[nH]4)n3)CC2)n1
InChIInChI=1S/C18H22N8O2/c1-11-10-13(15-19-6-7-20-15)22-14(21-11)12-4-8-26(9-5-12)16-23-17(27-2)25-18(24-16)28-3/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeyZPNXALMZROXMNH-UHFFFAOYSA-N
MW382.43 g/mol
LogP1.76
Rot. Bonds5

About 2-[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine

2-[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine (PubChem CID 110091061) has the molecular formula C18H22N8O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is 2-[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
PubChem CID110091061
Molecular FormulaC18H22N8O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC Name2-[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCC(c3nc(C)cc(-c4ncc[nH]4)n3)CC2)n1
InChIInChI=1S/C18H22N8O2/c1-11-10-13(15-19-6-7-20-15)22-14(21-11)12-4-8-26(9-5-12)16-23-17(27-2)25-18(24-16)28-3/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeyZPNXALMZROXMNH-UHFFFAOYSA-N
XLogP1.76
TPSA114.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine (CID 110091061) is 2-[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine is COc1nc(OC)nc(N2CCC(c3nc(C)cc(-c4ncc[nH]4)n3)CC2)n1.
What is the InChIKey of 2-[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is ZPNXALMZROXMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O2/c1-11-10-13(15-19-6-7-20-15)22-14(21-11)12-4-8-26(9-5-12)16-23-17(27-2)25-18(24-16)28-3/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,19,20).
What are the key properties of 2-[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
2-[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 382.43 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 110091061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).