6-[(1-methylsulfanylcyclopropyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C10H13N5OS — CID 137262912

IUPAC6-[(1-methylsulfanylcyclopropyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCSC1(CNc2nc3[nH]ncc3c(=O)[nH]2)CC1
InChIInChI=1S/C10H13N5OS/c1-17-10(2-3-10)5-11-9-13-7-6(4-12-15-7)8(16)14-9/h4H,2-3,5H2,1H3,(H3,11,12,13,14,15,16)
InChIKeyRJOBNGDKJXNUSM-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.95
Rot. Bonds4

About 6-[(1-methylsulfanylcyclopropyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-[(1-methylsulfanylcyclopropyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137262912) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 6-[(1-methylsulfanylcyclopropyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(1-methylsulfanylcyclopropyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137262912
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name6-[(1-methylsulfanylcyclopropyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCSC1(CNc2nc3[nH]ncc3c(=O)[nH]2)CC1
InChIInChI=1S/C10H13N5OS/c1-17-10(2-3-10)5-11-9-13-7-6(4-12-15-7)8(16)14-9/h4H,2-3,5H2,1H3,(H3,11,12,13,14,15,16)
InChIKeyRJOBNGDKJXNUSM-UHFFFAOYSA-N
XLogP0.95
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-ethylphenyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137262862
5-chloro-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyridazin-6-one
CID 114117075
6-methylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135483440
6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137272101
6-(4-tert-butylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135422910
6-pyrrolidin-1-yl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 166197479
6-[(2-tert-butylcyclopentyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 136547843
6-(dimethylamino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135403384
N-[(1-methylsulfanylcyclobutyl)methyl]-1H-benzimidazol-2-amine
CID 107268802
6-[(2-butan-2-yloxy-4-pyridinyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 136537393
(2S)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]propanoic acid
CID 136739094
6-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137272002

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylsulfanylcyclopropyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(1-methylsulfanylcyclopropyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 137262912) is 6-[(1-methylsulfanylcyclopropyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(1-methylsulfanylcyclopropyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(1-methylsulfanylcyclopropyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is CSC1(CNc2nc3[nH]ncc3c(=O)[nH]2)CC1.
What is the InChIKey of 6-[(1-methylsulfanylcyclopropyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is RJOBNGDKJXNUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-17-10(2-3-10)5-11-9-13-7-6(4-12-15-7)8(16)14-9/h4H,2-3,5H2,1H3,(H3,11,12,13,14,15,16).
What are the key properties of 6-[(1-methylsulfanylcyclopropyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-[(1-methylsulfanylcyclopropyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 251.31 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylsulfanylcyclopropyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137262912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).