6-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C25H27N5O — CID 85331374

IUPAC6-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2[nH]c(-c3ccc(CN4CCOCC4)cc3)cc12)c1ccccc1
InChIInChI=1S/C25H27N5O/c1-18(20-5-3-2-4-6-20)28-24-22-15-23(29-25(22)27-17-26-24)21-9-7-19(8-10-21)16-30-11-13-31-14-12-30/h2-10,15,17-18H,11-14,16H2,1H3,(H2,26,27,28,29)
InChIKeyRLXDINBVLLERRM-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.63
Rot. Bonds6

About 6-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 85331374) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 6-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID85331374
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name6-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2[nH]c(-c3ccc(CN4CCOCC4)cc3)cc12)c1ccccc1
InChIInChI=1S/C25H27N5O/c1-18(20-5-3-2-4-6-20)28-24-22-15-23(29-25(22)27-17-26-24)21-9-7-19(8-10-21)16-30-11-13-31-14-12-30/h2-10,15,17-18H,11-14,16H2,1H3,(H2,26,27,28,29)
InChIKeyRLXDINBVLLERRM-UHFFFAOYSA-N
XLogP4.63
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 85331374) is 6-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC(Nc1ncnc2[nH]c(-c3ccc(CN4CCOCC4)cc3)cc12)c1ccccc1.
What is the InChIKey of 6-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is RLXDINBVLLERRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-18(20-5-3-2-4-6-20)28-24-22-15-23(29-25(22)27-17-26-24)21-9-7-19(8-10-21)16-30-11-13-31-14-12-30/h2-10,15,17-18H,11-14,16H2,1H3,(H2,26,27,28,29).
What are the key properties of 6-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 413.53 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 85331374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).