6-chloro-2-N-(furan-2-ylmethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine

C11H14ClN5O — CID 55125089

IUPAC6-chloro-2-N-(furan-2-ylmethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(N(C)Cc2ccco2)n1
InChIInChI=1S/C11H14ClN5O/c1-16(2)10-13-9(12)14-11(15-10)17(3)7-8-5-4-6-18-8/h4-6H,7H2,1-3H3
InChIKeyYOWBFFDIEKYCOQ-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.82
Rot. Bonds4

About 6-chloro-2-N-(furan-2-ylmethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(furan-2-ylmethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 55125089) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 6-chloro-2-N-(furan-2-ylmethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(furan-2-ylmethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
PubChem CID55125089
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name6-chloro-2-N-(furan-2-ylmethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(N(C)Cc2ccco2)n1
InChIInChI=1S/C11H14ClN5O/c1-16(2)10-13-9(12)14-11(15-10)17(3)7-8-5-4-6-18-8/h4-6H,7H2,1-3H3
InChIKeyYOWBFFDIEKYCOQ-UHFFFAOYSA-N
XLogP1.82
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-N-(furan-2-ylmethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-2-amine
CID 107541586
6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 55125410
2-chloro-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320636
N-(furan-2-ylmethyl)-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80906186
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80814460
2-chloro-6-ethyl-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320635
6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80796768
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
6-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,3,6-triamine
CID 79828230
6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80893164
2-N,4-N,4-N-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80782080
4-chloro-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid
CID 78979678

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(furan-2-ylmethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(furan-2-ylmethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (CID 55125089) is 6-chloro-2-N-(furan-2-ylmethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(furan-2-ylmethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(furan-2-ylmethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(Cl)nc(N(C)Cc2ccco2)n1.
What is the InChIKey of 6-chloro-2-N-(furan-2-ylmethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YOWBFFDIEKYCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-16(2)10-13-9(12)14-11(15-10)17(3)7-8-5-4-6-18-8/h4-6H,7H2,1-3H3.
What are the key properties of 6-chloro-2-N-(furan-2-ylmethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(furan-2-ylmethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 267.72 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(furan-2-ylmethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 55125089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).