7-cyclohexyl-N-(4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

C22H27N5O — CID 23646625

IUPAC7-cyclohexyl-N-(4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESc1cc(N2CCOCC2)ccc1Nc1ncc2ccn(C3CCCCC3)c2n1
InChIInChI=1S/C22H27N5O/c1-2-4-20(5-3-1)27-11-10-17-16-23-22(25-21(17)27)24-18-6-8-19(9-7-18)26-12-14-28-15-13-26/h6-11,16,20H,1-5,12-15H2,(H,23,24,25)
InChIKeyXQVYLFQJGUZFRC-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.52
Rot. Bonds4

About 7-cyclohexyl-N-(4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

7-cyclohexyl-N-(4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 23646625) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 7-cyclohexyl-N-(4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-cyclohexyl-N-(4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID23646625
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name7-cyclohexyl-N-(4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESc1cc(N2CCOCC2)ccc1Nc1ncc2ccn(C3CCCCC3)c2n1
InChIInChI=1S/C22H27N5O/c1-2-4-20(5-3-1)27-11-10-17-16-23-22(25-21(17)27)24-18-6-8-19(9-7-18)26-12-14-28-15-13-26/h6-11,16,20H,1-5,12-15H2,(H,23,24,25)
InChIKeyXQVYLFQJGUZFRC-UHFFFAOYSA-N
XLogP4.52
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 7-cyclohexyl-N-(4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-cyclohexyl-N-(4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (CID 23646625) is 7-cyclohexyl-N-(4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-cyclohexyl-N-(4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-cyclohexyl-N-(4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is c1cc(N2CCOCC2)ccc1Nc1ncc2ccn(C3CCCCC3)c2n1.
What is the InChIKey of 7-cyclohexyl-N-(4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is XQVYLFQJGUZFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-2-4-20(5-3-1)27-11-10-17-16-23-22(25-21(17)27)24-18-6-8-19(9-7-18)26-12-14-28-15-13-26/h6-11,16,20H,1-5,12-15H2,(H,23,24,25).
What are the key properties of 7-cyclohexyl-N-(4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
7-cyclohexyl-N-(4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 377.49 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-N-(4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 23646625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).