[3-[5-methyl-4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol

C23H29N5O2 — CID 42633906

IUPAC[3-[5-methyl-4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol
SMILESCn1cc(CN2CCCC2)c2nc(-c3cccc(CO)c3)nc(N3CCOCC3)c21
InChIInChI=1S/C23H29N5O2/c1-26-14-19(15-27-7-2-3-8-27)20-21(26)23(28-9-11-30-12-10-28)25-22(24-20)18-6-4-5-17(13-18)16-29/h4-6,13-14,29H,2-3,7-12,15-16H2,1H3
InChIKeyONUKOAFJMMCPRR-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.56
Rot. Bonds5

About [3-[5-methyl-4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol

[3-[5-methyl-4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol (PubChem CID 42633906) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is [3-[5-methyl-4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[5-methyl-4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol
PubChem CID42633906
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name[3-[5-methyl-4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol
SMILESCn1cc(CN2CCCC2)c2nc(-c3cccc(CO)c3)nc(N3CCOCC3)c21
InChIInChI=1S/C23H29N5O2/c1-26-14-19(15-27-7-2-3-8-27)20-21(26)23(28-9-11-30-12-10-28)25-22(24-20)18-6-4-5-17(13-18)16-29/h4-6,13-14,29H,2-3,7-12,15-16H2,1H3
InChIKeyONUKOAFJMMCPRR-UHFFFAOYSA-N
XLogP2.56
TPSA66.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[5-methyl-4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol?
The IUPAC name of [3-[5-methyl-4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol (CID 42633906) is [3-[5-methyl-4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[5-methyl-4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol?
The canonical SMILES for [3-[5-methyl-4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol is Cn1cc(CN2CCCC2)c2nc(-c3cccc(CO)c3)nc(N3CCOCC3)c21.
What is the InChIKey of [3-[5-methyl-4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol?
The InChIKey is ONUKOAFJMMCPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-26-14-19(15-27-7-2-3-8-27)20-21(26)23(28-9-11-30-12-10-28)25-22(24-20)18-6-4-5-17(13-18)16-29/h4-6,13-14,29H,2-3,7-12,15-16H2,1H3.
What are the key properties of [3-[5-methyl-4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol?
[3-[5-methyl-4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol has a molecular weight of 407.52 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-methyl-4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol is sourced from PubChem (CID 42633906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).