3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine

C14H22Cl2N4 — CID 102758066

IUPAC3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(NCCN(C)C2CC2)c(Cl)cc1Cl
InChIInChI=1S/C14H22Cl2N4/c1-3-6-17-13-11(15)9-12(16)14(19-13)18-7-8-20(2)10-4-5-10/h9-10H,3-8H2,1-2H3,(H2,17,18,19)
InChIKeyASJZQZXLVLEDIE-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.72
Rot. Bonds8

About 3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine

3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine (PubChem CID 102758066) has the molecular formula C14H22Cl2N4 and a molecular weight of 317.26 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
PubChem CID102758066
Molecular FormulaC14H22Cl2N4
Molecular Weight317.26 g/mol
Exact Mass316.12
IUPAC Name3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(NCCN(C)C2CC2)c(Cl)cc1Cl
InChIInChI=1S/C14H22Cl2N4/c1-3-6-17-13-11(15)9-12(16)14(19-13)18-7-8-20(2)10-4-5-10/h9-10H,3-8H2,1-2H3,(H2,17,18,19)
InChIKeyASJZQZXLVLEDIE-UHFFFAOYSA-N
XLogP3.72
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopropyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)ethane-1,2-diamine
CID 102751027
3,5-dichloro-6-N-[2-[ethyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102757950
3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 102755827
6-N-butyl-3,5-dichloro-6-N-cyclopropyl-2-N-propylpyridine-2,6-diamine
CID 102756727
5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 80823116
3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine
CID 102757675
5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80822914
N'-cyclohexyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)propane-1,3-diamine
CID 106193002
3,5-dichloro-6-N-methyl-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine
CID 102756278
3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine
CID 102755904
3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine
CID 102755687
3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine
CID 102759419

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine (CID 102758066) is 3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine is CCCNc1nc(NCCN(C)C2CC2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine?
The InChIKey is ASJZQZXLVLEDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N4/c1-3-6-17-13-11(15)9-12(16)14(19-13)18-7-8-20(2)10-4-5-10/h9-10H,3-8H2,1-2H3,(H2,17,18,19).
What are the key properties of 3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine?
3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine has a molecular weight of 317.26 g/mol, XLogP of 3.72, 8 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-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 102758066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).