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

C26H28ClN5O2 — CID 90844132

IUPAC4-[[(4-chlorophenyl)-phenylmethyl]amino]-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol
SMILESCC(C)n1cc2c(NC(c3ccccc3)c3ccc(Cl)cc3)nc(N3CCOCC3)nc2c1O
InChIInChI=1S/C26H28ClN5O2/c1-17(2)32-16-21-23(25(32)33)29-26(31-12-14-34-15-13-31)30-24(21)28-22(18-6-4-3-5-7-18)19-8-10-20(27)11-9-19/h3-11,16-17,22,33H,12-15H2,1-2H3,(H,28,29,30)
InChIKeyKSXVUOVZAWHNGH-UHFFFAOYSA-N
MW478.00 g/mol
LogP5.41
Rot. Bonds6

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

4-[[(4-chlorophenyl)-phenylmethyl]amino]-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol (PubChem CID 90844132) has the molecular formula C26H28ClN5O2 and a molecular weight of 478.00 g/mol. Its IUPAC name is 4-[[(4-chlorophenyl)-phenylmethyl]amino]-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol.

Molecular Properties

Compound Name4-[[(4-chlorophenyl)-phenylmethyl]amino]-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol
PubChem CID90844132
Molecular FormulaC26H28ClN5O2
Molecular Weight478.00 g/mol
Exact Mass477.19
IUPAC Name4-[[(4-chlorophenyl)-phenylmethyl]amino]-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol
SMILESCC(C)n1cc2c(NC(c3ccccc3)c3ccc(Cl)cc3)nc(N3CCOCC3)nc2c1O
InChIInChI=1S/C26H28ClN5O2/c1-17(2)32-16-21-23(25(32)33)29-26(31-12-14-34-15-13-31)30-24(21)28-22(18-6-4-3-5-7-18)19-8-10-20(27)11-9-19/h3-11,16-17,22,33H,12-15H2,1-2H3,(H,28,29,30)
InChIKeyKSXVUOVZAWHNGH-UHFFFAOYSA-N
XLogP5.41
TPSA75.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.00
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol
CID 91518831
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-[1-[4-(2-methylpropyl)phenyl]ethylamino]-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 90782463
1-[4-[4-[[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]amino]-7-hydroxy-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 90934913
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
6-methyl-2-morpholin-4-yl-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961190
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine;hydrochloride
CID 68723199
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-(benzhydrylamino)-6-cyclobutyl-2-morpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 68723538
4-[7-hydroxy-6-propan-2-yl-4-(quinolin-3-ylmethylamino)pyrrolo[3,4-d]pyrimidin-2-yl]piperazin-2-one
CID 90900908

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chlorophenyl)-phenylmethyl]amino]-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol?
The IUPAC name of 4-[[(4-chlorophenyl)-phenylmethyl]amino]-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol (CID 90844132) is 4-[[(4-chlorophenyl)-phenylmethyl]amino]-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol.
What is the SMILES notation for 4-[[(4-chlorophenyl)-phenylmethyl]amino]-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol?
The canonical SMILES for 4-[[(4-chlorophenyl)-phenylmethyl]amino]-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol is CC(C)n1cc2c(NC(c3ccccc3)c3ccc(Cl)cc3)nc(N3CCOCC3)nc2c1O.
What is the InChIKey of 4-[[(4-chlorophenyl)-phenylmethyl]amino]-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol?
The InChIKey is KSXVUOVZAWHNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O2/c1-17(2)32-16-21-23(25(32)33)29-26(31-12-14-34-15-13-31)30-24(21)28-22(18-6-4-3-5-7-18)19-8-10-20(27)11-9-19/h3-11,16-17,22,33H,12-15H2,1-2H3,(H,28,29,30).
What are the key properties of 4-[[(4-chlorophenyl)-phenylmethyl]amino]-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol?
4-[[(4-chlorophenyl)-phenylmethyl]amino]-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol has a molecular weight of 478.00 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chlorophenyl)-phenylmethyl]amino]-2-morpholin-4-yl-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol is sourced from PubChem (CID 90844132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).