2-(methoxymethyl)-4-[3-[(3-pyrrolidin-1-ylpyrazin-2-yl)amino]cyclobutyl]-1H-pyrimidin-6-one

C18H24N6O2 — CID 136663692

IUPAC2-(methoxymethyl)-4-[3-[(3-pyrrolidin-1-ylpyrazin-2-yl)amino]cyclobutyl]-1H-pyrimidin-6-one
SMILESCOCc1nc(C2CC(Nc3nccnc3N3CCCC3)C2)cc(=O)[nH]1
InChIInChI=1S/C18H24N6O2/c1-26-11-15-22-14(10-16(25)23-15)12-8-13(9-12)21-17-18(20-5-4-19-17)24-6-2-3-7-24/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H,19,21)(H,22,23,25)
InChIKeyJEXLYSVESJPZSL-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.66
Rot. Bonds6

About 2-(methoxymethyl)-4-[3-[(3-pyrrolidin-1-ylpyrazin-2-yl)amino]cyclobutyl]-1H-pyrimidin-6-one

2-(methoxymethyl)-4-[3-[(3-pyrrolidin-1-ylpyrazin-2-yl)amino]cyclobutyl]-1H-pyrimidin-6-one (PubChem CID 136663692) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-[3-[(3-pyrrolidin-1-ylpyrazin-2-yl)amino]cyclobutyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(methoxymethyl)-4-[3-[(3-pyrrolidin-1-ylpyrazin-2-yl)amino]cyclobutyl]-1H-pyrimidin-6-one
PubChem CID136663692
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-(methoxymethyl)-4-[3-[(3-pyrrolidin-1-ylpyrazin-2-yl)amino]cyclobutyl]-1H-pyrimidin-6-one
SMILESCOCc1nc(C2CC(Nc3nccnc3N3CCCC3)C2)cc(=O)[nH]1
InChIInChI=1S/C18H24N6O2/c1-26-11-15-22-14(10-16(25)23-15)12-8-13(9-12)21-17-18(20-5-4-19-17)24-6-2-3-7-24/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H,19,21)(H,22,23,25)
InChIKeyJEXLYSVESJPZSL-UHFFFAOYSA-N
XLogP1.66
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-[3-[(3-pyrrolidin-1-ylpyrazin-2-yl)amino]cyclobutyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(methoxymethyl)-4-[3-[(3-pyrrolidin-1-ylpyrazin-2-yl)amino]cyclobutyl]-1H-pyrimidin-6-one (CID 136663692) is 2-(methoxymethyl)-4-[3-[(3-pyrrolidin-1-ylpyrazin-2-yl)amino]cyclobutyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(methoxymethyl)-4-[3-[(3-pyrrolidin-1-ylpyrazin-2-yl)amino]cyclobutyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(methoxymethyl)-4-[3-[(3-pyrrolidin-1-ylpyrazin-2-yl)amino]cyclobutyl]-1H-pyrimidin-6-one is COCc1nc(C2CC(Nc3nccnc3N3CCCC3)C2)cc(=O)[nH]1.
What is the InChIKey of 2-(methoxymethyl)-4-[3-[(3-pyrrolidin-1-ylpyrazin-2-yl)amino]cyclobutyl]-1H-pyrimidin-6-one?
The InChIKey is JEXLYSVESJPZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-26-11-15-22-14(10-16(25)23-15)12-8-13(9-12)21-17-18(20-5-4-19-17)24-6-2-3-7-24/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H,19,21)(H,22,23,25).
What are the key properties of 2-(methoxymethyl)-4-[3-[(3-pyrrolidin-1-ylpyrazin-2-yl)amino]cyclobutyl]-1H-pyrimidin-6-one?
2-(methoxymethyl)-4-[3-[(3-pyrrolidin-1-ylpyrazin-2-yl)amino]cyclobutyl]-1H-pyrimidin-6-one has a molecular weight of 356.43 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-[3-[(3-pyrrolidin-1-ylpyrazin-2-yl)amino]cyclobutyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136663692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).