6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine

C12H16ClN5O — CID 80804357

IUPAC6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NC(C)CCc2ccco2)n1
InChIInChI=1S/C12H16ClN5O/c1-8(5-6-9-4-3-7-19-9)15-12-17-10(13)16-11(14-2)18-12/h3-4,7-8H,5-6H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyJAYGMNBCEVEKKI-UHFFFAOYSA-N
MW281.75 g/mol
LogP2.59
Rot. Bonds6

About 6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80804357) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80804357
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NC(C)CCc2ccco2)n1
InChIInChI=1S/C12H16ClN5O/c1-8(5-6-9-4-3-7-19-9)15-12-17-10(13)16-11(14-2)18-12/h3-4,7-8H,5-6H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyJAYGMNBCEVEKKI-UHFFFAOYSA-N
XLogP2.59
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[4-(furan-2-yl)butan-2-yl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804354
N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62860172
2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553533
N-[4-(furan-2-yl)butan-2-yl]pyridazin-3-amine
CID 62482242
N-[4-(furan-2-yl)butan-2-yl]quinoxalin-2-amine
CID 60716487
5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine
CID 80805349
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80979448
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-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline
CID 107787692
N-[4-(furan-2-yl)butan-2-yl]acridin-9-amine
CID 4516381
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-4-nitropyridin-2-amine
CID 103888310
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methylpyrimidin-4-amine
CID 63727965

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80804357) is 6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(NC(C)CCc2ccco2)n1.
What is the InChIKey of 6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JAYGMNBCEVEKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-8(5-6-9-4-3-7-19-9)15-12-17-10(13)16-11(14-2)18-12/h3-4,7-8H,5-6H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 281.75 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80804357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).