7-(6-cyclohexyloxy-3-pyridinyl)-5,5-dimethyl-4-(methylamino)pyrrolo[2,3-d]pyrimidin-6-one

C20H25N5O2 — CID 175988805

IUPAC7-(6-cyclohexyloxy-3-pyridinyl)-5,5-dimethyl-4-(methylamino)pyrrolo[2,3-d]pyrimidin-6-one
SMILESCNc1ncnc2c1C(C)(C)C(=O)N2c1ccc(OC2CCCCC2)nc1
InChIInChI=1S/C20H25N5O2/c1-20(2)16-17(21-3)23-12-24-18(16)25(19(20)26)13-9-10-15(22-11-13)27-14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3,(H,21,23,24)
InChIKeyVHDAAINWFGKMMN-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.58
Rot. Bonds4

About 7-(6-cyclohexyloxy-3-pyridinyl)-5,5-dimethyl-4-(methylamino)pyrrolo[2,3-d]pyrimidin-6-one

7-(6-cyclohexyloxy-3-pyridinyl)-5,5-dimethyl-4-(methylamino)pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 175988805) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 7-(6-cyclohexyloxy-3-pyridinyl)-5,5-dimethyl-4-(methylamino)pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-(6-cyclohexyloxy-3-pyridinyl)-5,5-dimethyl-4-(methylamino)pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID175988805
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name7-(6-cyclohexyloxy-3-pyridinyl)-5,5-dimethyl-4-(methylamino)pyrrolo[2,3-d]pyrimidin-6-one
SMILESCNc1ncnc2c1C(C)(C)C(=O)N2c1ccc(OC2CCCCC2)nc1
InChIInChI=1S/C20H25N5O2/c1-20(2)16-17(21-3)23-12-24-18(16)25(19(20)26)13-9-10-15(22-11-13)27-14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3,(H,21,23,24)
InChIKeyVHDAAINWFGKMMN-UHFFFAOYSA-N
XLogP3.58
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(6-cyclohexyloxy-3-pyridinyl)-5,5-dimethyl-4-(methylamino)pyrrolo[2,3-d]pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(6-cyclohexyloxy-3-pyridinyl)-5,5-dimethyl-4-(methylamino)pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-(6-cyclohexyloxy-3-pyridinyl)-5,5-dimethyl-4-(methylamino)pyrrolo[2,3-d]pyrimidin-6-one (CID 175988805) is 7-(6-cyclohexyloxy-3-pyridinyl)-5,5-dimethyl-4-(methylamino)pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-(6-cyclohexyloxy-3-pyridinyl)-5,5-dimethyl-4-(methylamino)pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-(6-cyclohexyloxy-3-pyridinyl)-5,5-dimethyl-4-(methylamino)pyrrolo[2,3-d]pyrimidin-6-one is CNc1ncnc2c1C(C)(C)C(=O)N2c1ccc(OC2CCCCC2)nc1.
What is the InChIKey of 7-(6-cyclohexyloxy-3-pyridinyl)-5,5-dimethyl-4-(methylamino)pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is VHDAAINWFGKMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-20(2)16-17(21-3)23-12-24-18(16)25(19(20)26)13-9-10-15(22-11-13)27-14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3,(H,21,23,24).
What are the key properties of 7-(6-cyclohexyloxy-3-pyridinyl)-5,5-dimethyl-4-(methylamino)pyrrolo[2,3-d]pyrimidin-6-one?
7-(6-cyclohexyloxy-3-pyridinyl)-5,5-dimethyl-4-(methylamino)pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 367.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-cyclohexyloxy-3-pyridinyl)-5,5-dimethyl-4-(methylamino)pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 175988805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).