2-imidazol-1-ylpyrimidine-4,5-diamine

C7H8N6 — CID 10080896

IUPAC2-imidazol-1-ylpyrimidine-4,5-diamine
SMILESNc1cnc(-n2ccnc2)nc1N
InChIInChI=1S/C7H8N6/c8-5-3-11-7(12-6(5)9)13-2-1-10-4-13/h1-4H,8H2,(H2,9,11,12)
InChIKeyYQVBYHBZYDNXKB-UHFFFAOYSA-N
MW176.18 g/mol
LogP-0.17
Rot. Bonds1

About 2-imidazol-1-ylpyrimidine-4,5-diamine

2-imidazol-1-ylpyrimidine-4,5-diamine (PubChem CID 10080896) has the molecular formula C7H8N6 and a molecular weight of 176.18 g/mol. Its IUPAC name is 2-imidazol-1-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-imidazol-1-ylpyrimidine-4,5-diamine
PubChem CID10080896
Molecular FormulaC7H8N6
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name2-imidazol-1-ylpyrimidine-4,5-diamine
SMILESNc1cnc(-n2ccnc2)nc1N
InChIInChI=1S/C7H8N6/c8-5-3-11-7(12-6(5)9)13-2-1-10-4-13/h1-4H,8H2,(H2,9,11,12)
InChIKeyYQVBYHBZYDNXKB-UHFFFAOYSA-N
XLogP-0.17
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-imidazol-1-yl-4-methylpyrimidin-5-yl)methanol
CID 83185080
2-imidazol-1-ylpyrimidine-4-carboxamide
CID 141444759
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
2-imidazol-1-yl-8-pyridin-4-yl-7H-purine
CID 10378055
N-[(2-imidazol-1-yl-4-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 83189637
3-imidazol-1-yl-1,2,4,5-tetrazine
CID 86097321
4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
CID 80883414
4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 104568284
6-imidazol-1-yl-2-methylpyrimidin-4-amine
CID 80854231
2-imidazol-1-ylaniline;dihydrochloride
CID 46786017
3-bromo-1-(2-imidazol-1-ylpyrimidin-5-yl)propane-1,2-diol
CID 171860732
N-benzyl-2-imidazol-1-yl-5-methylpyrimidin-4-amine
CID 22080698

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-ylpyrimidine-4,5-diamine?
The IUPAC name of 2-imidazol-1-ylpyrimidine-4,5-diamine (CID 10080896) is 2-imidazol-1-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 2-imidazol-1-ylpyrimidine-4,5-diamine?
The canonical SMILES for 2-imidazol-1-ylpyrimidine-4,5-diamine is Nc1cnc(-n2ccnc2)nc1N.
What is the InChIKey of 2-imidazol-1-ylpyrimidine-4,5-diamine?
The InChIKey is YQVBYHBZYDNXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6/c8-5-3-11-7(12-6(5)9)13-2-1-10-4-13/h1-4H,8H2,(H2,9,11,12).
What are the key properties of 2-imidazol-1-ylpyrimidine-4,5-diamine?
2-imidazol-1-ylpyrimidine-4,5-diamine has a molecular weight of 176.18 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 10080896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).