4-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazin-2-amine

C13H13ClN6O — CID 62864444

IUPAC4-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCC(Cc1ccco1)Nc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C13H13ClN6O/c1-9(7-10-3-2-6-21-10)16-12-17-11(14)18-13(19-12)20-5-4-15-8-20/h2-6,8-9H,7H2,1H3,(H,16,17,18,19)
InChIKeyIJFPLRTYSUHQDN-UHFFFAOYSA-N
MW304.74 g/mol
LogP2.35
Rot. Bonds5

About 4-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazin-2-amine

4-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 62864444) has the molecular formula C13H13ClN6O and a molecular weight of 304.74 g/mol. Its IUPAC name is 4-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID62864444
Molecular FormulaC13H13ClN6O
Molecular Weight304.74 g/mol
Exact Mass304.08
IUPAC Name4-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCC(Cc1ccco1)Nc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C13H13ClN6O/c1-9(7-10-3-2-6-21-10)16-12-17-11(14)18-13(19-12)20-5-4-15-8-20/h2-6,8-9H,7H2,1H3,(H,16,17,18,19)
InChIKeyIJFPLRTYSUHQDN-UHFFFAOYSA-N
XLogP2.35
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-chloro-6-imidazol-1-yl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 62869319
6-chloro-2-N,2-N-diethyl-4-N-[1-(furan-2-yl)propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 62864795
4-chloro-6-imidazol-1-yl-N-(1-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine
CID 64642088
4-chloro-6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62864098
N-[1-(furan-2-yl)propan-2-yl]-3-imidazol-1-ylaniline
CID 63100284
4-chloro-6-imidazol-1-yl-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
CID 62864454
6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804357
N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80900930
4-chloro-6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazin-2-amine
CID 106214337
N-ethyl-4-(furan-2-ylmethoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80844168
N-[1-(furan-2-yl)propan-2-yl]pyridin-4-amine
CID 61043048
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 62864444) is 4-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazin-2-amine is CC(Cc1ccco1)Nc1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 4-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is IJFPLRTYSUHQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN6O/c1-9(7-10-3-2-6-21-10)16-12-17-11(14)18-13(19-12)20-5-4-15-8-20/h2-6,8-9H,7H2,1H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 304.74 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62864444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).