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

C24H24ClN5O — CID 69181811

IUPACN-[(3-chlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESClc1cccc(CNc2ncnc3[nH]c(-c4ccc(CN5CCOCC5)cc4)cc23)c1
InChIInChI=1S/C24H24ClN5O/c25-20-3-1-2-18(12-20)14-26-23-21-13-22(29-24(21)28-16-27-23)19-6-4-17(5-7-19)15-30-8-10-31-11-9-30/h1-7,12-13,16H,8-11,14-15H2,(H2,26,27,28,29)
InChIKeyJZGMNWGNFNZOSE-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.72
Rot. Bonds6

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

N-[(3-chlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 69181811) has the molecular formula C24H24ClN5O and a molecular weight of 433.94 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID69181811
Molecular FormulaC24H24ClN5O
Molecular Weight433.94 g/mol
Exact Mass433.17
IUPAC NameN-[(3-chlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESClc1cccc(CNc2ncnc3[nH]c(-c4ccc(CN5CCOCC5)cc4)cc23)c1
InChIInChI=1S/C24H24ClN5O/c25-20-3-1-2-18(12-20)14-26-23-21-13-22(29-24(21)28-16-27-23)19-6-4-17(5-7-19)15-30-8-10-31-11-9-30/h1-7,12-13,16H,8-11,14-15H2,(H2,26,27,28,29)
InChIKeyJZGMNWGNFNZOSE-UHFFFAOYSA-N
XLogP4.72
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 69181811) is N-[(3-chlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Clc1cccc(CNc2ncnc3[nH]c(-c4ccc(CN5CCOCC5)cc4)cc23)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is JZGMNWGNFNZOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O/c25-20-3-1-2-18(12-20)14-26-23-21-13-22(29-24(21)28-16-27-23)19-6-4-17(5-7-19)15-30-8-10-31-11-9-30/h1-7,12-13,16H,8-11,14-15H2,(H2,26,27,28,29).
What are the key properties of N-[(3-chlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[(3-chlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 433.94 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 69181811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).