4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-morpholin-4-yl-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one

C19H29N5O3 — CID 68724733

IUPAC4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-morpholin-4-yl-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESCCCN1Cc2c(nc(N3CCOCC3)nc2N2CCCC2COC)C1=O
InChIInChI=1S/C19H29N5O3/c1-3-6-23-12-15-16(18(23)25)20-19(22-8-10-27-11-9-22)21-17(15)24-7-4-5-14(24)13-26-2/h14H,3-13H2,1-2H3
InChIKeyVWINQFWABKTVAG-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.29
Rot. Bonds6

About 4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-morpholin-4-yl-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one

4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-morpholin-4-yl-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one (PubChem CID 68724733) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-morpholin-4-yl-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-morpholin-4-yl-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one
PubChem CID68724733
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-morpholin-4-yl-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESCCCN1Cc2c(nc(N3CCOCC3)nc2N2CCCC2COC)C1=O
InChIInChI=1S/C19H29N5O3/c1-3-6-23-12-15-16(18(23)25)20-19(22-8-10-27-11-9-22)21-17(15)24-7-4-5-14(24)13-26-2/h14H,3-13H2,1-2H3
InChIKeyVWINQFWABKTVAG-UHFFFAOYSA-N
XLogP1.29
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-morpholin-4-yl-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The IUPAC name of 4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-morpholin-4-yl-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one (CID 68724733) is 4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-morpholin-4-yl-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one.
What is the SMILES notation for 4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-morpholin-4-yl-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The canonical SMILES for 4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-morpholin-4-yl-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one is CCCN1Cc2c(nc(N3CCOCC3)nc2N2CCCC2COC)C1=O.
What is the InChIKey of 4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-morpholin-4-yl-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The InChIKey is VWINQFWABKTVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-3-6-23-12-15-16(18(23)25)20-19(22-8-10-27-11-9-22)21-17(15)24-7-4-5-14(24)13-26-2/h14H,3-13H2,1-2H3.
What are the key properties of 4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-morpholin-4-yl-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-morpholin-4-yl-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one has a molecular weight of 375.47 g/mol, XLogP of 1.29, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-morpholin-4-yl-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one is sourced from PubChem (CID 68724733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).