4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

C13H17ClN4O2 — CID 62865258

IUPAC4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1ccc(CN(C)c2nc(Cl)nc(OC(C)C)n2)o1
InChIInChI=1S/C13H17ClN4O2/c1-8(2)19-13-16-11(14)15-12(17-13)18(4)7-10-6-5-9(3)20-10/h5-6,8H,7H2,1-4H3
InChIKeyKOGKMTFWTVCAGL-UHFFFAOYSA-N
MW296.76 g/mol
LogP2.85
Rot. Bonds5

About 4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 62865258) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID62865258
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1ccc(CN(C)c2nc(Cl)nc(OC(C)C)n2)o1
InChIInChI=1S/C13H17ClN4O2/c1-8(2)19-13-16-11(14)15-12(17-13)18(4)7-10-6-5-9(3)20-10/h5-6,8H,7H2,1-4H3
InChIKeyKOGKMTFWTVCAGL-UHFFFAOYSA-N
XLogP2.85
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-chloro-4-N-ethyl-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80781663
4-chloro-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 62865087
6-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80781898
6-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773776
2-N,4-N,4-N-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80782080
6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 63729253
6-chloro-N,4,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridazin-3-amine
CID 63271589
6-chloro-2-N-(furan-2-ylmethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 55125089
4-chloro-N-methyl-N-[(2-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62864242
N-[(4-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62858842
4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 82748110
1-[3-chloro-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanol
CID 62907848

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 62865258) is 4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is Cc1ccc(CN(C)c2nc(Cl)nc(OC(C)C)n2)o1.
What is the InChIKey of 4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is KOGKMTFWTVCAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c1-8(2)19-13-16-11(14)15-12(17-13)18(4)7-10-6-5-9(3)20-10/h5-6,8H,7H2,1-4H3.
What are the key properties of 4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 296.76 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62865258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).