2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidine

C20H23N5O — CID 29149421

IUPAC2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidine
SMILESCOC[C@H]1CCCN1c1nccc(-c2cnn(-c3ccccc3C)c2)n1
InChIInChI=1S/C20H23N5O/c1-15-6-3-4-8-19(15)25-13-16(12-22-25)18-9-10-21-20(23-18)24-11-5-7-17(24)14-26-2/h3-4,6,8-10,12-13,17H,5,7,11,14H2,1-2H3/t17-/m1/s1
InChIKeyNRCXKRCXQYSIGL-QGZVFWFLSA-N
MW349.44 g/mol
LogP3.25
Rot. Bonds5

About 2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidine

2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidine (PubChem CID 29149421) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidine.

Molecular Properties

Compound Name2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidine
PubChem CID29149421
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidine
SMILESCOC[C@H]1CCCN1c1nccc(-c2cnn(-c3ccccc3C)c2)n1
InChIInChI=1S/C20H23N5O/c1-15-6-3-4-8-19(15)25-13-16(12-22-25)18-9-10-21-20(23-18)24-11-5-7-17(24)14-26-2/h3-4,6,8-10,12-13,17H,5,7,11,14H2,1-2H3/t17-/m1/s1
InChIKeyNRCXKRCXQYSIGL-QGZVFWFLSA-N
XLogP3.25
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidine?
The IUPAC name of 2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidine (CID 29149421) is 2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidine.
What is the SMILES notation for 2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidine?
The canonical SMILES for 2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidine is COC[C@H]1CCCN1c1nccc(-c2cnn(-c3ccccc3C)c2)n1.
What is the InChIKey of 2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidine?
The InChIKey is NRCXKRCXQYSIGL-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-6-3-4-8-19(15)25-13-16(12-22-25)18-9-10-21-20(23-18)24-11-5-7-17(24)14-26-2/h3-4,6,8-10,12-13,17H,5,7,11,14H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidine?
2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidine has a molecular weight of 349.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidine is sourced from PubChem (CID 29149421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).