3,5-dichloro-6-N-propan-2-yl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine

C13H15Cl2N3S — CID 102756801

IUPAC3,5-dichloro-6-N-propan-2-yl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
SMILESCC(C)N(Cc1cccs1)c1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3S/c1-8(2)18(7-9-4-3-5-19-9)13-11(15)6-10(14)12(16)17-13/h3-6,8H,7H2,1-2H3,(H2,16,17)
InChIKeyBUDZRHJLZIMHFG-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.45
Rot. Bonds4

About 3,5-dichloro-6-N-propan-2-yl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine

3,5-dichloro-6-N-propan-2-yl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine (PubChem CID 102756801) has the molecular formula C13H15Cl2N3S and a molecular weight of 316.26 g/mol. Its IUPAC name is 3,5-dichloro-6-N-propan-2-yl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-propan-2-yl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
PubChem CID102756801
Molecular FormulaC13H15Cl2N3S
Molecular Weight316.26 g/mol
Exact Mass315.04
IUPAC Name3,5-dichloro-6-N-propan-2-yl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
SMILESCC(C)N(Cc1cccs1)c1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3S/c1-8(2)18(7-9-4-3-5-19-9)13-11(15)6-10(14)12(16)17-13/h3-6,8H,7H2,1-2H3,(H2,16,17)
InChIKeyBUDZRHJLZIMHFG-UHFFFAOYSA-N
XLogP4.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 63728632
5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine
CID 54946602
6-chloro-4,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 63271982
5-fluoro-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808330
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320935
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 79917686
5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine
CID 104533407
3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 105367794
2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine
CID 54946553
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809772
5-amino-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide
CID 61453095
6-chloro-2-cyclopropyl-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80980118

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-propan-2-yl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-propan-2-yl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine (CID 102756801) is 3,5-dichloro-6-N-propan-2-yl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-propan-2-yl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-propan-2-yl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine is CC(C)N(Cc1cccs1)c1nc(N)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-propan-2-yl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine?
The InChIKey is BUDZRHJLZIMHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3S/c1-8(2)18(7-9-4-3-5-19-9)13-11(15)6-10(14)12(16)17-13/h3-6,8H,7H2,1-2H3,(H2,16,17).
What are the key properties of 3,5-dichloro-6-N-propan-2-yl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine?
3,5-dichloro-6-N-propan-2-yl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine has a molecular weight of 316.26 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-propan-2-yl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102756801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).