2-(methoxymethyl)-5-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrimidine

C22H27N5O — CID 70705801

IUPAC2-(methoxymethyl)-5-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrimidine
SMILESCOCc1ncc(CN2CCC(c3[nH]ncc3-c3ccccc3C)CC2)cn1
InChIInChI=1S/C22H27N5O/c1-16-5-3-4-6-19(16)20-13-25-26-22(20)18-7-9-27(10-8-18)14-17-11-23-21(15-28-2)24-12-17/h3-6,11-13,18H,7-10,14-15H2,1-2H3,(H,25,26)
InChIKeyAWCQNLOLURDLHD-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.70
Rot. Bonds6

About 2-(methoxymethyl)-5-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrimidine

2-(methoxymethyl)-5-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrimidine (PubChem CID 70705801) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-5-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrimidine
PubChem CID70705801
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name2-(methoxymethyl)-5-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrimidine
SMILESCOCc1ncc(CN2CCC(c3[nH]ncc3-c3ccccc3C)CC2)cn1
InChIInChI=1S/C22H27N5O/c1-16-5-3-4-6-19(16)20-13-25-26-22(20)18-7-9-27(10-8-18)14-17-11-23-21(15-28-2)24-12-17/h3-6,11-13,18H,7-10,14-15H2,1-2H3,(H,25,26)
InChIKeyAWCQNLOLURDLHD-UHFFFAOYSA-N
XLogP3.70
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-(methoxymethyl)-5-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrimidine (CID 70705801) is 2-(methoxymethyl)-5-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-5-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-5-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrimidine is COCc1ncc(CN2CCC(c3[nH]ncc3-c3ccccc3C)CC2)cn1.
What is the InChIKey of 2-(methoxymethyl)-5-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrimidine?
The InChIKey is AWCQNLOLURDLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16-5-3-4-6-19(16)20-13-25-26-22(20)18-7-9-27(10-8-18)14-17-11-23-21(15-28-2)24-12-17/h3-6,11-13,18H,7-10,14-15H2,1-2H3,(H,25,26).
What are the key properties of 2-(methoxymethyl)-5-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrimidine?
2-(methoxymethyl)-5-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrimidine has a molecular weight of 377.49 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 70705801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).