N-[(2,5-dichlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C24H23Cl2N5O — CID 69181541

IUPACN-[(2,5-dichlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESClc1ccc(Cl)c(CNc2ncnc3[nH]c(-c4ccc(CN5CCOCC5)cc4)cc23)c1
InChIInChI=1S/C24H23Cl2N5O/c25-19-5-6-21(26)18(11-19)13-27-23-20-12-22(30-24(20)29-15-28-23)17-3-1-16(2-4-17)14-31-7-9-32-10-8-31/h1-6,11-12,15H,7-10,13-14H2,(H2,27,28,29,30)
InChIKeyYQCLEPYVIHWRIN-UHFFFAOYSA-N
MW468.39 g/mol
LogP5.38
Rot. Bonds6

About N-[(2,5-dichlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[(2,5-dichlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 69181541) has the molecular formula C24H23Cl2N5O and a molecular weight of 468.39 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID69181541
Molecular FormulaC24H23Cl2N5O
Molecular Weight468.39 g/mol
Exact Mass467.13
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESClc1ccc(Cl)c(CNc2ncnc3[nH]c(-c4ccc(CN5CCOCC5)cc4)cc23)c1
InChIInChI=1S/C24H23Cl2N5O/c25-19-5-6-21(26)18(11-19)13-27-23-20-12-22(30-24(20)29-15-28-23)17-3-1-16(2-4-17)14-31-7-9-32-10-8-31/h1-6,11-12,15H,7-10,13-14H2,(H2,27,28,29,30)
InChIKeyYQCLEPYVIHWRIN-UHFFFAOYSA-N
XLogP5.38
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.39
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 69181541) is N-[(2,5-dichlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Clc1ccc(Cl)c(CNc2ncnc3[nH]c(-c4ccc(CN5CCOCC5)cc4)cc23)c1.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is YQCLEPYVIHWRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N5O/c25-19-5-6-21(26)18(11-19)13-27-23-20-12-22(30-24(20)29-15-28-23)17-3-1-16(2-4-17)14-31-7-9-32-10-8-31/h1-6,11-12,15H,7-10,13-14H2,(H2,27,28,29,30).
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[(2,5-dichlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 468.39 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 69181541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).