N-(4-morpholin-4-ylphenyl)-4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine

C24H26N6O — CID 67445017

IUPACN-(4-morpholin-4-ylphenyl)-4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
SMILESCCCn1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c2ccncc21
InChIInChI=1S/C24H26N6O/c1-2-11-30-17-21(20-7-9-25-16-23(20)30)22-8-10-26-24(28-22)27-18-3-5-19(6-4-18)29-12-14-31-15-13-29/h3-10,16-17H,2,11-15H2,1H3,(H,26,27,28)
InChIKeyLQHRAEINHKNGDY-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.48
Rot. Bonds6

About N-(4-morpholin-4-ylphenyl)-4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine

N-(4-morpholin-4-ylphenyl)-4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 67445017) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
PubChem CID67445017
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC NameN-(4-morpholin-4-ylphenyl)-4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
SMILESCCCn1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c2ccncc21
InChIInChI=1S/C24H26N6O/c1-2-11-30-17-21(20-7-9-25-16-23(20)30)22-8-10-26-24(28-22)27-18-3-5-19(6-4-18)29-12-14-31-15-13-29/h3-10,16-17H,2,11-15H2,1H3,(H,26,27,28)
InChIKeyLQHRAEINHKNGDY-UHFFFAOYSA-N
XLogP4.48
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine (CID 67445017) is N-(4-morpholin-4-ylphenyl)-4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine is CCCn1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c2ccncc21.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is LQHRAEINHKNGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-2-11-30-17-21(20-7-9-25-16-23(20)30)22-8-10-26-24(28-22)27-18-3-5-19(6-4-18)29-12-14-31-15-13-29/h3-10,16-17H,2,11-15H2,1H3,(H,26,27,28).
What are the key properties of N-(4-morpholin-4-ylphenyl)-4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine?
N-(4-morpholin-4-ylphenyl)-4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 414.51 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 67445017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).