1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine

C18H26N6O — CID 71929310

IUPAC1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine
SMILESCn1cc(C2OCCC2CNCc2cnc(N3CCCC3)nc2)cn1
InChIInChI=1S/C18H26N6O/c1-23-13-16(12-22-23)17-15(4-7-25-17)11-19-8-14-9-20-18(21-10-14)24-5-2-3-6-24/h9-10,12-13,15,17,19H,2-8,11H2,1H3
InChIKeyYUHOQIMRQPCTAG-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.68
Rot. Bonds6

About 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine

1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine (PubChem CID 71929310) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine
PubChem CID71929310
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine
SMILESCn1cc(C2OCCC2CNCc2cnc(N3CCCC3)nc2)cn1
InChIInChI=1S/C18H26N6O/c1-23-13-16(12-22-23)17-15(4-7-25-17)11-19-8-14-9-20-18(21-10-14)24-5-2-3-6-24/h9-10,12-13,15,17,19H,2-8,11H2,1H3
InChIKeyYUHOQIMRQPCTAG-UHFFFAOYSA-N
XLogP1.68
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine (CID 71929310) is 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine is Cn1cc(C2OCCC2CNCc2cnc(N3CCCC3)nc2)cn1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine?
The InChIKey is YUHOQIMRQPCTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-23-13-16(12-22-23)17-15(4-7-25-17)11-19-8-14-9-20-18(21-10-14)24-5-2-3-6-24/h9-10,12-13,15,17,19H,2-8,11H2,1H3.
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine?
1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine has a molecular weight of 342.45 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine is sourced from PubChem (CID 71929310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).