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

C23H29N5O2 — CID 72724726

IUPAC7-cyclohexyl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1cc(N2CCOCC2)ccc1Nc1ncc2ccn(C3CCCCC3)c2n1
InChIInChI=1S/C23H29N5O2/c1-29-21-15-19(27-11-13-30-14-12-27)7-8-20(21)25-23-24-16-17-9-10-28(22(17)26-23)18-5-3-2-4-6-18/h7-10,15-16,18H,2-6,11-14H2,1H3,(H,24,25,26)
InChIKeyTUJLVYFVYXEUDO-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.53
Rot. Bonds5

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

7-cyclohexyl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 72724726) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 7-cyclohexyl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-cyclohexyl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID72724726
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name7-cyclohexyl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1cc(N2CCOCC2)ccc1Nc1ncc2ccn(C3CCCCC3)c2n1
InChIInChI=1S/C23H29N5O2/c1-29-21-15-19(27-11-13-30-14-12-27)7-8-20(21)25-23-24-16-17-9-10-28(22(17)26-23)18-5-3-2-4-6-18/h7-10,15-16,18H,2-6,11-14H2,1H3,(H,24,25,26)
InChIKeyTUJLVYFVYXEUDO-UHFFFAOYSA-N
XLogP4.53
TPSA64.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-cyclohexyl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (CID 72724726) is 7-cyclohexyl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-cyclohexyl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-cyclohexyl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is COc1cc(N2CCOCC2)ccc1Nc1ncc2ccn(C3CCCCC3)c2n1.
What is the InChIKey of 7-cyclohexyl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is TUJLVYFVYXEUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-29-21-15-19(27-11-13-30-14-12-27)7-8-20(21)25-23-24-16-17-9-10-28(22(17)26-23)18-5-3-2-4-6-18/h7-10,15-16,18H,2-6,11-14H2,1H3,(H,24,25,26).
What are the key properties of 7-cyclohexyl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
7-cyclohexyl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 407.52 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 72724726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).