3,5-dichloro-6-N-[(2-methylpyrazol-3-yl)methyl]-2-N-propylpyridine-2,6-diamine

C13H17Cl2N5 — CID 102758253

IUPAC3,5-dichloro-6-N-[(2-methylpyrazol-3-yl)methyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(NCc2ccnn2C)c(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2N5/c1-3-5-16-12-10(14)7-11(15)13(19-12)17-8-9-4-6-18-20(9)2/h4,6-7H,3,5,8H2,1-2H3,(H2,16,17,19)
InChIKeyBLKWANFZYMEYBM-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.56
Rot. Bonds6

About 3,5-dichloro-6-N-[(2-methylpyrazol-3-yl)methyl]-2-N-propylpyridine-2,6-diamine

3,5-dichloro-6-N-[(2-methylpyrazol-3-yl)methyl]-2-N-propylpyridine-2,6-diamine (PubChem CID 102758253) has the molecular formula C13H17Cl2N5 and a molecular weight of 314.22 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[(2-methylpyrazol-3-yl)methyl]-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[(2-methylpyrazol-3-yl)methyl]-2-N-propylpyridine-2,6-diamine
PubChem CID102758253
Molecular FormulaC13H17Cl2N5
Molecular Weight314.22 g/mol
Exact Mass313.09
IUPAC Name3,5-dichloro-6-N-[(2-methylpyrazol-3-yl)methyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(NCc2ccnn2C)c(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2N5/c1-3-5-16-12-10(14)7-11(15)13(19-12)17-8-9-4-6-18-20(9)2/h4,6-7H,3,5,8H2,1-2H3,(H2,16,17,19)
InChIKeyBLKWANFZYMEYBM-UHFFFAOYSA-N
XLogP3.56
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755576
3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine
CID 106898227
3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 102755816
6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102758506
6-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine
CID 115474161
3-chloro-N-[(2-methylpyrazol-3-yl)methyl]isoquinolin-1-amine
CID 154877995
3,5-dichloro-6-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106378906
2-chloro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 115877145
5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663113
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 102756901
5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663388

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[(2-methylpyrazol-3-yl)methyl]-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[(2-methylpyrazol-3-yl)methyl]-2-N-propylpyridine-2,6-diamine (CID 102758253) is 3,5-dichloro-6-N-[(2-methylpyrazol-3-yl)methyl]-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[(2-methylpyrazol-3-yl)methyl]-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[(2-methylpyrazol-3-yl)methyl]-2-N-propylpyridine-2,6-diamine is CCCNc1nc(NCc2ccnn2C)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-[(2-methylpyrazol-3-yl)methyl]-2-N-propylpyridine-2,6-diamine?
The InChIKey is BLKWANFZYMEYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N5/c1-3-5-16-12-10(14)7-11(15)13(19-12)17-8-9-4-6-18-20(9)2/h4,6-7H,3,5,8H2,1-2H3,(H2,16,17,19).
What are the key properties of 3,5-dichloro-6-N-[(2-methylpyrazol-3-yl)methyl]-2-N-propylpyridine-2,6-diamine?
3,5-dichloro-6-N-[(2-methylpyrazol-3-yl)methyl]-2-N-propylpyridine-2,6-diamine has a molecular weight of 314.22 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-[(2-methylpyrazol-3-yl)methyl]-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 102758253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).