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

C26H31N5O — CID 91150284

IUPAC4-(benzhydrylamino)-2-(diethylamino)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol
SMILESCCN(CC)c1nc(NC(c2ccccc2)c2ccccc2)c2cn(C(C)C)c(O)c2n1
InChIInChI=1S/C26H31N5O/c1-5-30(6-2)26-28-23-21(17-31(18(3)4)25(23)32)24(29-26)27-22(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-18,22,32H,5-6H2,1-4H3,(H,27,28,29)
InChIKeyDVABCLCGCFWDFF-UHFFFAOYSA-N
MW429.57 g/mol
LogP5.77
Rot. Bonds8

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

4-(benzhydrylamino)-2-(diethylamino)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol (PubChem CID 91150284) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is 4-(benzhydrylamino)-2-(diethylamino)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol.

Molecular Properties

Compound Name4-(benzhydrylamino)-2-(diethylamino)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol
PubChem CID91150284
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name4-(benzhydrylamino)-2-(diethylamino)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol
SMILESCCN(CC)c1nc(NC(c2ccccc2)c2ccccc2)c2cn(C(C)C)c(O)c2n1
InChIInChI=1S/C26H31N5O/c1-5-30(6-2)26-28-23-21(17-31(18(3)4)25(23)32)24(29-26)27-22(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-18,22,32H,5-6H2,1-4H3,(H,27,28,29)
InChIKeyDVABCLCGCFWDFF-UHFFFAOYSA-N
XLogP5.77
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.57
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyethylamino)-4-[[(4-methylphenyl)-phenylmethyl]amino]-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol
CID 90759394
2-N,2-N-diethyl-4-N-(1-phenylethyl)quinazoline-2,4-diamine
CID 56729230
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
2-[[6-(benzhydrylamino)-9-methylpurin-2-yl]amino]butan-1-ol
CID 78076011
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
N-benzhydryl-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22693150
N-benzhydryl-2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylacetamide
CID 3983689
4-chloro-N,N-diethylquinazolin-2-amine
CID 10933458
(2R,3R,4S,5R)-2-[6-amino-2-[ethyl-[(2S)-2-phenylpropyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 67923246
3-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]-methylamino]propan-1-ol
CID 10641864
4-methyl-1-(1-phenylpropyl)-N-propan-2-ylimidazol-2-amine
CID 106569605
N-benzhydryl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440113

Frequently Asked Questions

What is the IUPAC name of 4-(benzhydrylamino)-2-(diethylamino)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol?
The IUPAC name of 4-(benzhydrylamino)-2-(diethylamino)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol (CID 91150284) is 4-(benzhydrylamino)-2-(diethylamino)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol.
What is the SMILES notation for 4-(benzhydrylamino)-2-(diethylamino)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol?
The canonical SMILES for 4-(benzhydrylamino)-2-(diethylamino)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol is CCN(CC)c1nc(NC(c2ccccc2)c2ccccc2)c2cn(C(C)C)c(O)c2n1.
What is the InChIKey of 4-(benzhydrylamino)-2-(diethylamino)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol?
The InChIKey is DVABCLCGCFWDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-5-30(6-2)26-28-23-21(17-31(18(3)4)25(23)32)24(29-26)27-22(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-18,22,32H,5-6H2,1-4H3,(H,27,28,29).
What are the key properties of 4-(benzhydrylamino)-2-(diethylamino)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol?
4-(benzhydrylamino)-2-(diethylamino)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol has a molecular weight of 429.57 g/mol, XLogP of 5.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzhydrylamino)-2-(diethylamino)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-7-ol is sourced from PubChem (CID 91150284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).