2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

C19H25N5O2 — CID 126448608

IUPAC2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
SMILESCOCc1nc([C@H]2CCOC2)cc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C19H25N5O2/c1-25-14-17-21-16(15-5-11-26-13-15)12-19(22-17)24-9-7-23(8-10-24)18-4-2-3-6-20-18/h2-4,6,12,15H,5,7-11,13-14H2,1H3/t15-/m0/s1
InChIKeyDAMUSCBFIZIEOE-HNNXBMFYSA-N
MW355.44 g/mol
LogP1.85
Rot. Bonds5

About 2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 126448608) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
PubChem CID126448608
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
SMILESCOCc1nc([C@H]2CCOC2)cc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C19H25N5O2/c1-25-14-17-21-16(15-5-11-26-13-15)12-19(22-17)24-9-7-23(8-10-24)18-4-2-3-6-20-18/h2-4,6,12,15H,5,7-11,13-14H2,1H3/t15-/m0/s1
InChIKeyDAMUSCBFIZIEOE-HNNXBMFYSA-N
XLogP1.85
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine (CID 126448608) is 2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine is COCc1nc([C@H]2CCOC2)cc(N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of 2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is DAMUSCBFIZIEOE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-25-14-17-21-16(15-5-11-26-13-15)12-19(22-17)24-9-7-23(8-10-24)18-4-2-3-6-20-18/h2-4,6,12,15H,5,7-11,13-14H2,1H3/t15-/m0/s1.
What are the key properties of 2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 355.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 126448608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).