7-cyclohexyl-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one

C19H23N5O — CID 134131496

IUPAC7-cyclohexyl-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)N(C2CCCCC2)c2nc(Nc3cccnc3)ncc21
InChIInChI=1S/C19H23N5O/c1-19(2)15-12-21-18(22-13-7-6-10-20-11-13)23-16(15)24(17(19)25)14-8-4-3-5-9-14/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H,21,22,23)
InChIKeyMSSPNGWPXHMXFZ-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.57
Rot. Bonds3

About 7-cyclohexyl-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one

7-cyclohexyl-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 134131496) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 7-cyclohexyl-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-cyclohexyl-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID134131496
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name7-cyclohexyl-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)N(C2CCCCC2)c2nc(Nc3cccnc3)ncc21
InChIInChI=1S/C19H23N5O/c1-19(2)15-12-21-18(22-13-7-6-10-20-11-13)23-16(15)24(17(19)25)14-8-4-3-5-9-14/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H,21,22,23)
InChIKeyMSSPNGWPXHMXFZ-UHFFFAOYSA-N
XLogP3.57
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-cyclohexyl-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one (CID 134131496) is 7-cyclohexyl-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-cyclohexyl-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-cyclohexyl-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one is CC1(C)C(=O)N(C2CCCCC2)c2nc(Nc3cccnc3)ncc21.
What is the InChIKey of 7-cyclohexyl-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is MSSPNGWPXHMXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-19(2)15-12-21-18(22-13-7-6-10-20-11-13)23-16(15)24(17(19)25)14-8-4-3-5-9-14/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H,21,22,23).
What are the key properties of 7-cyclohexyl-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one?
7-cyclohexyl-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 337.43 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 134131496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).