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

C11H10ClF2N5 — CID 80804623

IUPAC6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C11H10ClF2N5/c1-15-10-17-9(12)18-11(19-10)16-5-6-2-3-7(13)8(14)4-6/h2-4H,5H2,1H3,(H2,15,16,17,18,19)
InChIKeyDYSMGRQSFPBRJR-UHFFFAOYSA-N
MW285.69 g/mol
LogP2.46
Rot. Bonds4

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

6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80804623) has the molecular formula C11H10ClF2N5 and a molecular weight of 285.69 g/mol. Its IUPAC name is 6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80804623
Molecular FormulaC11H10ClF2N5
Molecular Weight285.69 g/mol
Exact Mass285.06
IUPAC Name6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C11H10ClF2N5/c1-15-10-17-9(12)18-11(19-10)16-5-6-2-3-7(13)8(14)4-6/h2-4H,5H2,1H3,(H2,15,16,17,18,19)
InChIKeyDYSMGRQSFPBRJR-UHFFFAOYSA-N
XLogP2.46
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80804455
3,6-dichloro-N-[(3,4-difluorophenyl)methyl]-1,2,4-triazin-5-amine
CID 81036342
6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80798291
2-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 80805540
2-N,5-bis[(3,4-difluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 68965607
2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321095
3,5,6-trichloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
CID 102750719
4-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80805369
2-chloro-N-[(3,4-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166257712
4-N-[(3,4-difluorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934939
6-chloro-2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785018
5-chloro-4-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80805633

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80804623) is 6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(NCc2ccc(F)c(F)c2)n1.
What is the InChIKey of 6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DYSMGRQSFPBRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2N5/c1-15-10-17-9(12)18-11(19-10)16-5-6-2-3-7(13)8(14)4-6/h2-4H,5H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 285.69 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80804623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).