4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol

C26H29N5O2 — CID 91518831

IUPAC4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol
SMILESCC(C)n1cc2c(NC(c3ccccc3)c3ccccc3)nc(N3CCOCC3)nc2c1O
InChIInChI=1S/C26H29N5O2/c1-18(2)31-17-21-23(25(31)32)28-26(30-13-15-33-16-14-30)29-24(21)27-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,22,32H,13-16H2,1-2H3,(H,27,28,29)
InChIKeyHYERZGBCNUTBFC-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.76
Rot. Bonds6

About 4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol

4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol (PubChem CID 91518831) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol.

Molecular Properties

Compound Name4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol
PubChem CID91518831
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol
SMILESCC(C)n1cc2c(NC(c3ccccc3)c3ccccc3)nc(N3CCOCC3)nc2c1O
InChIInChI=1S/C26H29N5O2/c1-18(2)31-17-21-23(25(31)32)28-26(30-13-15-33-16-14-30)29-24(21)27-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,22,32H,13-16H2,1-2H3,(H,27,28,29)
InChIKeyHYERZGBCNUTBFC-UHFFFAOYSA-N
XLogP4.76
TPSA75.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol with MolForge

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Related Compounds

4-[[(4-chlorophenyl)-phenylmethyl]amino]-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol
CID 90844132
1-[4-[7-hydroxy-4-[[(4-methoxyphenyl)-phenylmethyl]amino]-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 90994264
4-(benzhydrylamino)-2-(diethylamino)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol
CID 91150284
1-[4-[7-hydroxy-6-propan-2-yl-4-[[(1R)-1-quinolin-3-ylethyl]amino]pyrrolo[3,4-d]pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 90750837
1-[4-[7-hydroxy-4-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 91431003
1-[4-[7-hydroxy-4-[1-[4-(2-methylpropyl)phenyl]ethylamino]-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 90782463
6-methyl-2-morpholin-4-yl-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961190
4-(benzhydrylamino)-6-cyclobutyl-2-morpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 68723538
1-[4-[4-[[(1R)-1-(4-ethoxy-2-fluorophenyl)ethyl]amino]-7-hydroxy-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 91104228
4-[7-hydroxy-6-propan-2-yl-4-(quinolin-3-ylmethylamino)pyrrolo[3,4-d]pyrimidin-2-yl]piperazin-2-one
CID 90900908
2-[3-(dimethylamino)pyrrolidin-1-yl]-6-propan-2-yl-4-(quinolin-3-ylmethylamino)pyrrolo[3,4-d]pyrimidin-7-ol
CID 91152991
1-[4-[4-[2-(4-chlorophenyl)-2-methylmorpholin-4-yl]-7-hydroxy-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 91607981

Frequently Asked Questions

What is the IUPAC name of 4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol?
The IUPAC name of 4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol (CID 91518831) is 4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol.
What is the SMILES notation for 4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol?
The canonical SMILES for 4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol is CC(C)n1cc2c(NC(c3ccccc3)c3ccccc3)nc(N3CCOCC3)nc2c1O.
What is the InChIKey of 4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol?
The InChIKey is HYERZGBCNUTBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-18(2)31-17-21-23(25(31)32)28-26(30-13-15-33-16-14-30)29-24(21)27-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,22,32H,13-16H2,1-2H3,(H,27,28,29).
What are the key properties of 4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol?
4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol has a molecular weight of 443.55 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol is sourced from PubChem (CID 91518831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).