4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-1,3,5-triazin-2-amine

C10H13ClN6O — CID 62859672

IUPAC4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NC(C)Cn2ccnc2)n1
InChIInChI=1S/C10H13ClN6O/c1-7(5-17-4-3-12-6-17)13-9-14-8(11)15-10(16-9)18-2/h3-4,6-7H,5H2,1-2H3,(H,13,14,15,16)
InChIKeyRVSNUSSWKPTZMY-UHFFFAOYSA-N
MW268.71 g/mol
LogP1.23
Rot. Bonds5

About 4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-1,3,5-triazin-2-amine

4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 62859672) has the molecular formula C10H13ClN6O and a molecular weight of 268.71 g/mol. Its IUPAC name is 4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID62859672
Molecular FormulaC10H13ClN6O
Molecular Weight268.71 g/mol
Exact Mass268.08
IUPAC Name4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NC(C)Cn2ccnc2)n1
InChIInChI=1S/C10H13ClN6O/c1-7(5-17-4-3-12-6-17)13-9-14-8(11)15-10(16-9)18-2/h3-4,6-7H,5H2,1-2H3,(H,13,14,15,16)
InChIKeyRVSNUSSWKPTZMY-UHFFFAOYSA-N
XLogP1.23
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-1,3,5-triazin-2-amine with MolForge

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Related Compounds

2-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80783995
4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine
CID 62859139
2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 62341885
3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
CID 82239276
3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 102750662
5-bromo-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 79076506
6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80736024
N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-5-methylpyrimidin-4-amine
CID 66327883
2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline
CID 61482768
5-chloro-2-N-ethyl-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80802503
2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80782682
6-chloro-2-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80809032

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-1,3,5-triazin-2-amine (CID 62859672) is 4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-1,3,5-triazin-2-amine is COc1nc(Cl)nc(NC(C)Cn2ccnc2)n1.
What is the InChIKey of 4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is RVSNUSSWKPTZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6O/c1-7(5-17-4-3-12-6-17)13-9-14-8(11)15-10(16-9)18-2/h3-4,6-7H,5H2,1-2H3,(H,13,14,15,16).
What are the key properties of 4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-1,3,5-triazin-2-amine?
4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 268.71 g/mol, XLogP of 1.23, 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-imidazol-1-ylpropan-2-yl)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62859672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).