4-N-(2-imidazol-1-ylethyl)-6-pyrazol-1-ylpyrimidine-4,5-diamine

C12H14N8 — CID 75484887

IUPAC4-N-(2-imidazol-1-ylethyl)-6-pyrazol-1-ylpyrimidine-4,5-diamine
SMILESNc1c(NCCn2ccnc2)ncnc1-n1cccn1
InChIInChI=1S/C12H14N8/c13-10-11(15-4-7-19-6-3-14-9-19)16-8-17-12(10)20-5-1-2-18-20/h1-3,5-6,8-9H,4,7,13H2,(H,15,16,17)
InChIKeyBPKWJVLLGXLCMD-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.55
Rot. Bonds5

About 4-N-(2-imidazol-1-ylethyl)-6-pyrazol-1-ylpyrimidine-4,5-diamine

4-N-(2-imidazol-1-ylethyl)-6-pyrazol-1-ylpyrimidine-4,5-diamine (PubChem CID 75484887) has the molecular formula C12H14N8 and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-N-(2-imidazol-1-ylethyl)-6-pyrazol-1-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-imidazol-1-ylethyl)-6-pyrazol-1-ylpyrimidine-4,5-diamine
PubChem CID75484887
Molecular FormulaC12H14N8
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name4-N-(2-imidazol-1-ylethyl)-6-pyrazol-1-ylpyrimidine-4,5-diamine
SMILESNc1c(NCCn2ccnc2)ncnc1-n1cccn1
InChIInChI=1S/C12H14N8/c13-10-11(15-4-7-19-6-3-14-9-19)16-8-17-12(10)20-5-1-2-18-20/h1-3,5-6,8-9H,4,7,13H2,(H,15,16,17)
InChIKeyBPKWJVLLGXLCMD-UHFFFAOYSA-N
XLogP0.55
TPSA99.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Pyrimidine, 4,6-bis(1H-pyrazol-1-yl)-
CID 3087487
2,6-Bis(1-pyrazolyl)pyrazine
CID 1487780
Pyrazolo(1,5-a)pyrimidin-6-amine
CID 25247836
Pyrazolo[1,5-a]pyrimidin-3-amine
CID 21192071
5-N,5-N-dimethylpyrazolo[1,5-a]pyrimidine-3,5-diamine
CID 58611206
5-Pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine
CID 129230006
N-pyrazolo[1,5-a]pyrimidin-3-ylpyrrolidine-1-carboxamide
CID 176141987
3-Pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 176141998
5-(3-Methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine
CID 176142021
5-(2-Methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine
CID 176142030
1-(pyrimidin-2-yl)-1H-pyrazol-4-amine
CID 43531925
1-(pyrimidin-5-yl)-1H-pyrazol-3-amine
CID 65690504

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-imidazol-1-ylethyl)-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-imidazol-1-ylethyl)-6-pyrazol-1-ylpyrimidine-4,5-diamine (CID 75484887) is 4-N-(2-imidazol-1-ylethyl)-6-pyrazol-1-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-imidazol-1-ylethyl)-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-imidazol-1-ylethyl)-6-pyrazol-1-ylpyrimidine-4,5-diamine is Nc1c(NCCn2ccnc2)ncnc1-n1cccn1.
What is the InChIKey of 4-N-(2-imidazol-1-ylethyl)-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The InChIKey is BPKWJVLLGXLCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8/c13-10-11(15-4-7-19-6-3-14-9-19)16-8-17-12(10)20-5-1-2-18-20/h1-3,5-6,8-9H,4,7,13H2,(H,15,16,17).
What are the key properties of 4-N-(2-imidazol-1-ylethyl)-6-pyrazol-1-ylpyrimidine-4,5-diamine?
4-N-(2-imidazol-1-ylethyl)-6-pyrazol-1-ylpyrimidine-4,5-diamine has a molecular weight of 270.30 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-imidazol-1-ylethyl)-6-pyrazol-1-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 75484887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).