3,5-dichloro-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine

C12H12Cl2N4 — CID 102758255

IUPAC3,5-dichloro-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine
SMILESCc1cccnc1CNc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N4/c1-7-3-2-4-16-10(7)6-17-12-9(14)5-8(13)11(15)18-12/h2-5H,6H2,1H3,(H3,15,17,18)
InChIKeyYQWDQJLVWXFNMV-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.29
Rot. Bonds3

About 3,5-dichloro-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine

3,5-dichloro-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine (PubChem CID 102758255) has the molecular formula C12H12Cl2N4 and a molecular weight of 283.16 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine
PubChem CID102758255
Molecular FormulaC12H12Cl2N4
Molecular Weight283.16 g/mol
Exact Mass282.04
IUPAC Name3,5-dichloro-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine
SMILESCc1cccnc1CNc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N4/c1-7-3-2-4-16-10(7)6-17-12-9(14)5-8(13)11(15)18-12/h2-5H,6H2,1H3,(H3,15,17,18)
InChIKeyYQWDQJLVWXFNMV-UHFFFAOYSA-N
XLogP3.29
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-2-N-ethyl-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine
CID 102758257
3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63306272
3,5-dichloro-6-N-(quinolin-8-ylmethyl)pyridine-2,6-diamine
CID 102759247
5-chloro-2-N-ethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80830405
3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756384
5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 105369414
4-chloro-5-fluoro-1-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 66077847
5-bromo-2-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,3-diamine
CID 63305917
6-methyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 78942063
4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80830321
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516
5-chloro-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136975684

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine (CID 102758255) is 3,5-dichloro-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine is Cc1cccnc1CNc1nc(N)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine?
The InChIKey is YQWDQJLVWXFNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4/c1-7-3-2-4-16-10(7)6-17-12-9(14)5-8(13)11(15)18-12/h2-5H,6H2,1H3,(H3,15,17,18).
What are the key properties of 3,5-dichloro-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine?
3,5-dichloro-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine has a molecular weight of 283.16 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 102758255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).