4-(6-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine

C16H22N4O — CID 177380775

IUPAC4-(6-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
SMILESc1nc(N2CCOCC2)c2cc(C3CCCCC3)[nH]c2n1
InChIInChI=1S/C16H22N4O/c1-2-4-12(5-3-1)14-10-13-15(19-14)17-11-18-16(13)20-6-8-21-9-7-20/h10-12H,1-9H2,(H,17,18,19)
InChIKeyHATJFSDVEDXAGF-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.84
Rot. Bonds2

About 4-(6-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine

4-(6-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine (PubChem CID 177380775) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(6-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(6-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
PubChem CID177380775
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-(6-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
SMILESc1nc(N2CCOCC2)c2cc(C3CCCCC3)[nH]c2n1
InChIInChI=1S/C16H22N4O/c1-2-4-12(5-3-1)14-10-13-15(19-14)17-11-18-16(13)20-6-8-21-9-7-20/h10-12H,1-9H2,(H,17,18,19)
InChIKeyHATJFSDVEDXAGF-UHFFFAOYSA-N
XLogP2.84
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(6-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine (CID 177380775) is 4-(6-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(6-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(6-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine is c1nc(N2CCOCC2)c2cc(C3CCCCC3)[nH]c2n1.
What is the InChIKey of 4-(6-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine?
The InChIKey is HATJFSDVEDXAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-4-12(5-3-1)14-10-13-15(19-14)17-11-18-16(13)20-6-8-21-9-7-20/h10-12H,1-9H2,(H,17,18,19).
What are the key properties of 4-(6-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine?
4-(6-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine has a molecular weight of 286.38 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 177380775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).