6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C15H24N6O — CID 137272101

IUPAC6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCN(C)C(CNc1nc2[nH]ncc2c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C15H24N6O/c1-21(2)12(10-6-4-3-5-7-10)9-16-15-18-13-11(8-17-20-13)14(22)19-15/h8,10,12H,3-7,9H2,1-2H3,(H3,16,17,18,19,20,22)
InChIKeyGSBAWEBNJDKLPP-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.57
Rot. Bonds5

About 6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137272101) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137272101
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCN(C)C(CNc1nc2[nH]ncc2c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C15H24N6O/c1-21(2)12(10-6-4-3-5-7-10)9-16-15-18-13-11(8-17-20-13)14(22)19-15/h8,10,12H,3-7,9H2,1-2H3,(H3,16,17,18,19,20,22)
InChIKeyGSBAWEBNJDKLPP-UHFFFAOYSA-N
XLogP1.57
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 137272101) is 6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is CN(C)C(CNc1nc2[nH]ncc2c(=O)[nH]1)C1CCCCC1.
What is the InChIKey of 6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is GSBAWEBNJDKLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-21(2)12(10-6-4-3-5-7-10)9-16-15-18-13-11(8-17-20-13)14(22)19-15/h8,10,12H,3-7,9H2,1-2H3,(H3,16,17,18,19,20,22).
What are the key properties of 6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 304.40 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137272101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).