2-(methoxymethyl)-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine

C19H28N6O2 — CID 126427239

IUPAC2-(methoxymethyl)-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine
SMILESCOCc1nc([C@H]2CCOC2)cc(N2CCN(Cc3nccn3C)CC2)n1
InChIInChI=1S/C19H28N6O2/c1-23-5-4-20-19(23)12-24-6-8-25(9-7-24)18-11-16(15-3-10-27-13-15)21-17(22-18)14-26-2/h4-5,11,15H,3,6-10,12-14H2,1-2H3/t15-/m0/s1
InChIKeyAVIQHLIKTRCOFL-HNNXBMFYSA-N
MW372.47 g/mol
LogP1.18
Rot. Bonds6

About 2-(methoxymethyl)-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine

2-(methoxymethyl)-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine (PubChem CID 126427239) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine
PubChem CID126427239
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name2-(methoxymethyl)-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine
SMILESCOCc1nc([C@H]2CCOC2)cc(N2CCN(Cc3nccn3C)CC2)n1
InChIInChI=1S/C19H28N6O2/c1-23-5-4-20-19(23)12-24-6-8-25(9-7-24)18-11-16(15-3-10-27-13-15)21-17(22-18)14-26-2/h4-5,11,15H,3,6-10,12-14H2,1-2H3/t15-/m0/s1
InChIKeyAVIQHLIKTRCOFL-HNNXBMFYSA-N
XLogP1.18
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine?
The IUPAC name of 2-(methoxymethyl)-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine (CID 126427239) is 2-(methoxymethyl)-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine is COCc1nc([C@H]2CCOC2)cc(N2CCN(Cc3nccn3C)CC2)n1.
What is the InChIKey of 2-(methoxymethyl)-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine?
The InChIKey is AVIQHLIKTRCOFL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-23-5-4-20-19(23)12-24-6-8-25(9-7-24)18-11-16(15-3-10-27-13-15)21-17(22-18)14-26-2/h4-5,11,15H,3,6-10,12-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-(methoxymethyl)-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine?
2-(methoxymethyl)-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine has a molecular weight of 372.47 g/mol, XLogP of 1.18, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine is sourced from PubChem (CID 126427239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).