N'-butyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine

C11H20N4S — CID 106973654

IUPACN'-butyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCCCCN(CCN)c1cc(SC)ncn1
InChIInChI=1S/C11H20N4S/c1-3-4-6-15(7-5-12)10-8-11(16-2)14-9-13-10/h8-9H,3-7,12H2,1-2H3
InChIKeySFFLPKAAKWRICE-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.76
Rot. Bonds7

About N'-butyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine

N'-butyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 106973654) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is N'-butyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine
PubChem CID106973654
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC NameN'-butyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCCCCN(CCN)c1cc(SC)ncn1
InChIInChI=1S/C11H20N4S/c1-3-4-6-15(7-5-12)10-8-11(16-2)14-9-13-10/h8-9H,3-7,12H2,1-2H3
InChIKeySFFLPKAAKWRICE-UHFFFAOYSA-N
XLogP1.76
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dibutyl-6-fluoropyrimidin-4-amine
CID 115416258
N'-cyclopropyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine
CID 106973855
N'-(2-aminoethyl)-N'-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine
CID 66333205
N-(2-bromoethyl)-N-(2-methoxyethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106973802
N'-(6-propoxypyrimidin-4-yl)-N'-propylethane-1,2-diamine
CID 66333622
N'-(6-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine
CID 66318967
2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
CID 106973430
N'-(5-bromo-2-pyridinyl)-N'-butylethane-1,2-diamine
CID 62587985
6-fluoro-N,N-dipropylpyrimidin-4-amine
CID 115416385
2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 106973440
7-[2-aminoethyl(butyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284505
6-N,6-N-diethyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112863456

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-butyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine (CID 106973654) is N'-butyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-butyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine is CCCCN(CCN)c1cc(SC)ncn1.
What is the InChIKey of N'-butyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is SFFLPKAAKWRICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-3-4-6-15(7-5-12)10-8-11(16-2)14-9-13-10/h8-9H,3-7,12H2,1-2H3.
What are the key properties of N'-butyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine?
N'-butyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 240.38 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 106973654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).