N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C11H13N7 — CID 167952507

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(CCc1cnc[nH]1)c1ncnc2[nH]ncc12
InChIInChI=1S/C11H13N7/c1-18(3-2-8-4-12-6-13-8)11-9-5-16-17-10(9)14-7-15-11/h4-7H,2-3H2,1H3,(H,12,13)(H,14,15,16,17)
InChIKeyQKSKMLDHRYQTNF-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.75
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 167952507) has the molecular formula C11H13N7 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID167952507
Molecular FormulaC11H13N7
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(CCc1cnc[nH]1)c1ncnc2[nH]ncc12
InChIInChI=1S/C11H13N7/c1-18(3-2-8-4-12-6-13-8)11-9-5-16-17-10(9)14-7-15-11/h4-7H,2-3H2,1H3,(H,12,13)(H,14,15,16,17)
InChIKeyQKSKMLDHRYQTNF-UHFFFAOYSA-N
XLogP0.75
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(2-methylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133276812
N-(2,2-difluoroethyl)-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 178106094
2-methyl-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 122064944
1-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]urea
CID 45120901
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 99782514
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133431087
N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 154741257
N-benzyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133383867
N-propyl-N-(2-pyridin-2-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 71980290
3-(1H-imidazol-5-yl)-N-methylpropan-1-amine
CID 19776442
3-[(3-amino-3-oxopropyl)-[2-(1H-imidazol-5-yl)ethyl]amino]propanamide
CID 118011725
ethane;4-methyl-1H-pyrazolo[3,4-d]pyrimidine
CID 143782754

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 167952507) is N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CN(CCc1cnc[nH]1)c1ncnc2[nH]ncc12.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is QKSKMLDHRYQTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7/c1-18(3-2-8-4-12-6-13-8)11-9-5-16-17-10(9)14-7-15-11/h4-7H,2-3H2,1H3,(H,12,13)(H,14,15,16,17).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 243.27 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 167952507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).