7'-(6-cyclohexyl-3-pyridinyl)-2'-(hydroxymethyl)spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one

C20H22N4O2 — CID 175988602

IUPAC7'-(6-cyclohexyl-3-pyridinyl)-2'-(hydroxymethyl)spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one
SMILESO=C1N(c2ccc(C3CCCCC3)nc2)c2nc(CO)ncc2C12CC2
InChIInChI=1S/C20H22N4O2/c25-12-17-22-11-15-18(23-17)24(19(26)20(15)8-9-20)14-6-7-16(21-10-14)13-4-2-1-3-5-13/h6-7,10-11,13,25H,1-5,8-9,12H2
InChIKeyDFJREJIHXQIWBZ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.12
Rot. Bonds3

About 7'-(6-cyclohexyl-3-pyridinyl)-2'-(hydroxymethyl)spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one

7'-(6-cyclohexyl-3-pyridinyl)-2'-(hydroxymethyl)spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one (PubChem CID 175988602) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 7'-(6-cyclohexyl-3-pyridinyl)-2'-(hydroxymethyl)spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one.

Molecular Properties

Compound Name7'-(6-cyclohexyl-3-pyridinyl)-2'-(hydroxymethyl)spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one
PubChem CID175988602
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name7'-(6-cyclohexyl-3-pyridinyl)-2'-(hydroxymethyl)spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one
SMILESO=C1N(c2ccc(C3CCCCC3)nc2)c2nc(CO)ncc2C12CC2
InChIInChI=1S/C20H22N4O2/c25-12-17-22-11-15-18(23-17)24(19(26)20(15)8-9-20)14-6-7-16(21-10-14)13-4-2-1-3-5-13/h6-7,10-11,13,25H,1-5,8-9,12H2
InChIKeyDFJREJIHXQIWBZ-UHFFFAOYSA-N
XLogP3.12
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7'-(6-cyclohexyl-3-pyridinyl)-2'-(hydroxymethyl)spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one?
The IUPAC name of 7'-(6-cyclohexyl-3-pyridinyl)-2'-(hydroxymethyl)spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one (CID 175988602) is 7'-(6-cyclohexyl-3-pyridinyl)-2'-(hydroxymethyl)spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one.
What is the SMILES notation for 7'-(6-cyclohexyl-3-pyridinyl)-2'-(hydroxymethyl)spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one?
The canonical SMILES for 7'-(6-cyclohexyl-3-pyridinyl)-2'-(hydroxymethyl)spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one is O=C1N(c2ccc(C3CCCCC3)nc2)c2nc(CO)ncc2C12CC2.
What is the InChIKey of 7'-(6-cyclohexyl-3-pyridinyl)-2'-(hydroxymethyl)spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one?
The InChIKey is DFJREJIHXQIWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-12-17-22-11-15-18(23-17)24(19(26)20(15)8-9-20)14-6-7-16(21-10-14)13-4-2-1-3-5-13/h6-7,10-11,13,25H,1-5,8-9,12H2.
What are the key properties of 7'-(6-cyclohexyl-3-pyridinyl)-2'-(hydroxymethyl)spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one?
7'-(6-cyclohexyl-3-pyridinyl)-2'-(hydroxymethyl)spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one has a molecular weight of 350.42 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-(6-cyclohexyl-3-pyridinyl)-2'-(hydroxymethyl)spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one is sourced from PubChem (CID 175988602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).