N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C12H13N5S — CID 73254462

IUPACN-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCC(Cc1cccs1)Nc1ncnc2[nH]ncc12
InChIInChI=1S/C12H13N5S/c1-8(5-9-3-2-4-18-9)16-11-10-6-15-17-12(10)14-7-13-11/h2-4,6-8H,5H2,1H3,(H2,13,14,15,16,17)
InChIKeyBHVFFDVKMZRYEI-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.46
Rot. Bonds4

About N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 73254462) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID73254462
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC NameN-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCC(Cc1cccs1)Nc1ncnc2[nH]ncc12
InChIInChI=1S/C12H13N5S/c1-8(5-9-3-2-4-18-9)16-11-10-6-15-17-12(10)14-7-13-11/h2-4,6-8H,5H2,1H3,(H2,13,14,15,16,17)
InChIKeyBHVFFDVKMZRYEI-UHFFFAOYSA-N
XLogP2.46
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133378136
N-(1-thiophen-2-ylpropan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184676
6-ethoxy-5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 66327692
5-ethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80813455
6-chloro-5-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 63730032
4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine
CID 103963293
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 99809761
N-(1-thiophen-2-ylpropan-2-yl)pyridin-4-amine
CID 63292001
3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine
CID 106949355
5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796179
5-chloro-2-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 80757935
5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine
CID 103518129

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 73254462) is N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CC(Cc1cccs1)Nc1ncnc2[nH]ncc12.
What is the InChIKey of N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is BHVFFDVKMZRYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-8(5-9-3-2-4-18-9)16-11-10-6-15-17-12(10)14-7-13-11/h2-4,6-8H,5H2,1H3,(H2,13,14,15,16,17).
What are the key properties of N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 259.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 73254462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).