4-N-(furan-2-ylmethyl)-6-imidazol-1-ylpyrimidine-4,5-diamine

C12H12N6O — CID 19146187

IUPAC4-N-(furan-2-ylmethyl)-6-imidazol-1-ylpyrimidine-4,5-diamine
SMILESNc1c(NCc2ccco2)ncnc1-n1ccnc1
InChIInChI=1S/C12H12N6O/c13-10-11(15-6-9-2-1-5-19-9)16-7-17-12(10)18-4-3-14-8-18/h1-5,7-8H,6,13H2,(H,15,16,17)
InChIKeyTZBHALONQTYGNR-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.45
Rot. Bonds4

About 4-N-(furan-2-ylmethyl)-6-imidazol-1-ylpyrimidine-4,5-diamine

4-N-(furan-2-ylmethyl)-6-imidazol-1-ylpyrimidine-4,5-diamine (PubChem CID 19146187) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-6-imidazol-1-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-6-imidazol-1-ylpyrimidine-4,5-diamine
PubChem CID19146187
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name4-N-(furan-2-ylmethyl)-6-imidazol-1-ylpyrimidine-4,5-diamine
SMILESNc1c(NCc2ccco2)ncnc1-n1ccnc1
InChIInChI=1S/C12H12N6O/c13-10-11(15-6-9-2-1-5-19-9)16-7-17-12(10)18-4-3-14-8-18/h1-5,7-8H,6,13H2,(H,15,16,17)
InChIKeyTZBHALONQTYGNR-UHFFFAOYSA-N
XLogP1.45
TPSA94.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,5,6-triamine
CID 19146076
6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 19146084
6-N-(furan-2-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19146156
4-N-(furan-2-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140123
6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 19136939
6-N-[(2-chlorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 19146169
4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80766445
4-N-(furan-2-ylmethyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142538
4-N-(2-ethylphenyl)-6-imidazol-1-ylpyrimidine-4,5-diamine
CID 22544226
4-N-(furan-2-ylmethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455196
N-(furan-2-ylmethyl)-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride
CID 22402376
6-(4-bromophenoxy)-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
CID 19146183

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-6-imidazol-1-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-6-imidazol-1-ylpyrimidine-4,5-diamine (CID 19146187) is 4-N-(furan-2-ylmethyl)-6-imidazol-1-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-6-imidazol-1-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-6-imidazol-1-ylpyrimidine-4,5-diamine is Nc1c(NCc2ccco2)ncnc1-n1ccnc1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-6-imidazol-1-ylpyrimidine-4,5-diamine?
The InChIKey is TZBHALONQTYGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c13-10-11(15-6-9-2-1-5-19-9)16-7-17-12(10)18-4-3-14-8-18/h1-5,7-8H,6,13H2,(H,15,16,17).
What are the key properties of 4-N-(furan-2-ylmethyl)-6-imidazol-1-ylpyrimidine-4,5-diamine?
4-N-(furan-2-ylmethyl)-6-imidazol-1-ylpyrimidine-4,5-diamine has a molecular weight of 256.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-2-ylmethyl)-6-imidazol-1-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 19146187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).