6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C13H16N6OS — CID 137262968

IUPAC6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)c1nc(C(C)Nc2nc3[nH]ncc3c(=O)[nH]2)cs1
InChIInChI=1S/C13H16N6OS/c1-6(2)12-16-9(5-21-12)7(3)15-13-17-10-8(4-14-19-10)11(20)18-13/h4-7H,1-3H3,(H3,14,15,17,18,19,20)
InChIKeyYERUMJSPLOXSKS-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.40
Rot. Bonds4

About 6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137262968) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is 6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137262968
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)c1nc(C(C)Nc2nc3[nH]ncc3c(=O)[nH]2)cs1
InChIInChI=1S/C13H16N6OS/c1-6(2)12-16-9(5-21-12)7(3)15-13-17-10-8(4-14-19-10)11(20)18-13/h4-7H,1-3H3,(H3,14,15,17,18,19,20)
InChIKeyYERUMJSPLOXSKS-UHFFFAOYSA-N
XLogP2.40
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-tert-butylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135422910
2-[1-(1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one
CID 167753419
5-bromo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 133346198
6-(dichloromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137258011
6-(dimethylamino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135403384
6-methylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135483440
3,4-diethyl-6-oxo-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridazine-5-carboxamide
CID 97059070
6-[(4-ethylphenyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137262862
3-propan-2-yl-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 133346270
5-nitro-N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 97317778
6-amino-2-[1-(1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one
CID 136809074
6-[(2-butan-2-yloxy-4-pyridinyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 136537393

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 137262968) is 6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is CC(C)c1nc(C(C)Nc2nc3[nH]ncc3c(=O)[nH]2)cs1.
What is the InChIKey of 6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is YERUMJSPLOXSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-6(2)12-16-9(5-21-12)7(3)15-13-17-10-8(4-14-19-10)11(20)18-13/h4-7H,1-3H3,(H3,14,15,17,18,19,20).
What are the key properties of 6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 304.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137262968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).