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

C22H27N5O2 — CID 42635504

IUPAC[3-[4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol
SMILESOCc1cccc(-c2nc(N3CCOCC3)c3[nH]cc(CN4CCCC4)c3n2)c1
InChIInChI=1S/C22H27N5O2/c28-15-16-4-3-5-17(12-16)21-24-19-18(14-26-6-1-2-7-26)13-23-20(19)22(25-21)27-8-10-29-11-9-27/h3-5,12-13,23,28H,1-2,6-11,14-15H2
InChIKeyIVRHPVWEBIOJTP-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.55
Rot. Bonds5

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

[3-[4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol (PubChem CID 42635504) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is [3-[4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol
PubChem CID42635504
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name[3-[4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol
SMILESOCc1cccc(-c2nc(N3CCOCC3)c3[nH]cc(CN4CCCC4)c3n2)c1
InChIInChI=1S/C22H27N5O2/c28-15-16-4-3-5-17(12-16)21-24-19-18(14-26-6-1-2-7-26)13-23-20(19)22(25-21)27-8-10-29-11-9-27/h3-5,12-13,23,28H,1-2,6-11,14-15H2
InChIKeyIVRHPVWEBIOJTP-UHFFFAOYSA-N
XLogP2.55
TPSA77.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol?
The IUPAC name of [3-[4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol (CID 42635504) is [3-[4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol?
The canonical SMILES for [3-[4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol is OCc1cccc(-c2nc(N3CCOCC3)c3[nH]cc(CN4CCCC4)c3n2)c1.
What is the InChIKey of [3-[4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol?
The InChIKey is IVRHPVWEBIOJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c28-15-16-4-3-5-17(12-16)21-24-19-18(14-26-6-1-2-7-26)13-23-20(19)22(25-21)27-8-10-29-11-9-27/h3-5,12-13,23,28H,1-2,6-11,14-15H2.
What are the key properties of [3-[4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol?
[3-[4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol has a molecular weight of 393.49 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol is sourced from PubChem (CID 42635504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).