3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine

C13H22Cl2N4 — CID 102759419

IUPAC3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(NC(C)CN(C)C)c(Cl)cc1Cl
InChIInChI=1S/C13H22Cl2N4/c1-5-6-16-12-10(14)7-11(15)13(18-12)17-9(2)8-19(3)4/h7,9H,5-6,8H2,1-4H3,(H2,16,17,18)
InChIKeyYHDZHLWESSLWBP-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.57
Rot. Bonds7

About 3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine

3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine (PubChem CID 102759419) has the molecular formula C13H22Cl2N4 and a molecular weight of 305.25 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine
PubChem CID102759419
Molecular FormulaC13H22Cl2N4
Molecular Weight305.25 g/mol
Exact Mass304.12
IUPAC Name3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(NC(C)CN(C)C)c(Cl)cc1Cl
InChIInChI=1S/C13H22Cl2N4/c1-5-6-16-12-10(14)7-11(15)13(18-12)17-9(2)8-19(3)4/h7,9H,5-6,8H2,1-4H3,(H2,16,17,18)
InChIKeyYHDZHLWESSLWBP-UHFFFAOYSA-N
XLogP3.57
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]butanamide
CID 102759989
3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine
CID 102757675
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylbutan-1-ol
CID 102759896
3,5-dichloro-6-N-(1-cyclopentylethyl)-2-N-propylpyridine-2,6-diamine
CID 102758469
3,5-dichloro-6-N-[2-[ethyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102757950
3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine
CID 102755564
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-N-methylpropanamide
CID 102756844
5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpentan-1-ol
CID 106163265
3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102758066
5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide
CID 82940765
5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide
CID 82949525

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine (CID 102759419) is 3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine is CCCNc1nc(NC(C)CN(C)C)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine?
The InChIKey is YHDZHLWESSLWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22Cl2N4/c1-5-6-16-12-10(14)7-11(15)13(18-12)17-9(2)8-19(3)4/h7,9H,5-6,8H2,1-4H3,(H2,16,17,18).
What are the key properties of 3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine?
3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine has a molecular weight of 305.25 g/mol, XLogP of 3.57, 7 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-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 102759419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).