2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine

C18H24N6O2 — CID 119061228

IUPAC2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
SMILESCOCc1nc(C2CCOC2)cc(N2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C18H24N6O2/c1-25-13-16-21-15(14-2-9-26-12-14)10-17(22-16)23-5-7-24(8-6-23)18-11-19-3-4-20-18/h3-4,10-11,14H,2,5-9,12-13H2,1H3
InChIKeyPRABXSZHDYPKAE-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.24
Rot. Bonds5

About 2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine

2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 119061228) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
PubChem CID119061228
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
SMILESCOCc1nc(C2CCOC2)cc(N2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C18H24N6O2/c1-25-13-16-21-15(14-2-9-26-12-14)10-17(22-16)23-5-7-24(8-6-23)18-11-19-3-4-20-18/h3-4,10-11,14H,2,5-9,12-13H2,1H3
InChIKeyPRABXSZHDYPKAE-UHFFFAOYSA-N
XLogP1.24
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-morpholin-3-ylpyrimidin-4-amine
CID 110257856
6-[(2-Methylpyrimidin-4-yl)methyl]-4-pyrazin-2-yl-1,4-oxazepane
CID 118740091
1-methyl-7-(oxan-4-ylmethoxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118746694
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 125160795
N-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
CID 125168732
N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 125169943
4-N-(2-imidazol-1-ylethyl)-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 125173044
3-methyl-4-[4-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-1,2,5-oxadiazole
CID 125173621
4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-(pyrazin-2-ylmethyl)pyrimidine-2,4-diamine
CID 126423525
2-(methoxymethyl)-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine
CID 126427239
N'-(1H-imidazol-2-ylmethyl)-N'-methyl-N-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]ethane-1,2-diamine
CID 126427886
2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine
CID 126431696

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine (CID 119061228) is 2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine is COCc1nc(C2CCOC2)cc(N2CCN(c3cnccn3)CC2)n1.
What is the InChIKey of 2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is PRABXSZHDYPKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-25-13-16-21-15(14-2-9-26-12-14)10-17(22-16)23-5-7-24(8-6-23)18-11-19-3-4-20-18/h3-4,10-11,14H,2,5-9,12-13H2,1H3.
What are the key properties of 2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine?
2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 356.43 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 119061228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).