3-bromo-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine

C16H18BrN5OS — CID 133365584

IUPAC3-bromo-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCn1nc(Br)c2c(N(Cc3cccs3)CC3CCCO3)ncnc21
InChIInChI=1S/C16H18BrN5OS/c1-21-15-13(14(17)20-21)16(19-10-18-15)22(8-11-4-2-6-23-11)9-12-5-3-7-24-12/h3,5,7,10-11H,2,4,6,8-9H2,1H3
InChIKeyPIRVCDZMOWRKLF-UHFFFAOYSA-N
MW408.33 g/mol
LogP3.37
Rot. Bonds5

About 3-bromo-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine

3-bromo-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 133365584) has the molecular formula C16H18BrN5OS and a molecular weight of 408.33 g/mol. Its IUPAC name is 3-bromo-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-bromo-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID133365584
Molecular FormulaC16H18BrN5OS
Molecular Weight408.33 g/mol
Exact Mass407.04
IUPAC Name3-bromo-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCn1nc(Br)c2c(N(Cc3cccs3)CC3CCCO3)ncnc21
InChIInChI=1S/C16H18BrN5OS/c1-21-15-13(14(17)20-21)16(19-10-18-15)22(8-11-4-2-6-23-11)9-12-5-3-7-24-12/h3,5,7,10-11H,2,4,6,8-9H2,1H3
InChIKeyPIRVCDZMOWRKLF-UHFFFAOYSA-N
XLogP3.37
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 97231150
1,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 126783872
4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 133369141
N-(furan-2-ylmethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 126769853
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681211
1-[(2S)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)-N-(thiophen-2-ylmethyl)methanamine
CID 95904603
5-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide
CID 42955157
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55494988
2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 54869237
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 94541380
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 78807506
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-bromo-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine (CID 133365584) is 3-bromo-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-bromo-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-bromo-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine is Cn1nc(Br)c2c(N(Cc3cccs3)CC3CCCO3)ncnc21.
What is the InChIKey of 3-bromo-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is PIRVCDZMOWRKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN5OS/c1-21-15-13(14(17)20-21)16(19-10-18-15)22(8-11-4-2-6-23-11)9-12-5-3-7-24-12/h3,5,7,10-11H,2,4,6,8-9H2,1H3.
What are the key properties of 3-bromo-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
3-bromo-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 408.33 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133365584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).