4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one

C26H29N5O2 — CID 57431799

IUPAC4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESCC(C)N1Cc2c(NC(c3ccccc3)c3ccccc3)nc(N3CCOCC3)nc2C1=O
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/h3-12,18,22H,13-17H2,1-2H3,(H,27,28,29)
InChIKeyRPJHSXJLMIVPDA-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.88
Rot. Bonds6

About 4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one

4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one (PubChem CID 57431799) 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-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
PubChem CID57431799
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESCC(C)N1Cc2c(NC(c3ccccc3)c3ccccc3)nc(N3CCOCC3)nc2C1=O
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/h3-12,18,22H,13-17H2,1-2H3,(H,27,28,29)
InChIKeyRPJHSXJLMIVPDA-UHFFFAOYSA-N
XLogP3.88
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The IUPAC name of 4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one (CID 57431799) is 4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one.
What is the SMILES notation for 4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The canonical SMILES for 4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one is CC(C)N1Cc2c(NC(c3ccccc3)c3ccccc3)nc(N3CCOCC3)nc2C1=O.
What is the InChIKey of 4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The InChIKey is RPJHSXJLMIVPDA-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/h3-12,18,22H,13-17H2,1-2H3,(H,27,28,29).
What are the key properties of 4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one has a molecular weight of 443.55 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one is sourced from PubChem (CID 57431799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).