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

C10H16N4S — CID 106973855

IUPACN'-cyclopropyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCSc1cc(N(CCN)C2CC2)ncn1
InChIInChI=1S/C10H16N4S/c1-15-10-6-9(12-7-13-10)14(5-4-11)8-2-3-8/h6-8H,2-5,11H2,1H3
InChIKeyPXHYQIHKYVMREB-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.13
Rot. Bonds5

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

N'-cyclopropyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 106973855) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine
PubChem CID106973855
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC NameN'-cyclopropyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCSc1cc(N(CCN)C2CC2)ncn1
InChIInChI=1S/C10H16N4S/c1-15-10-6-9(12-7-13-10)14(5-4-11)8-2-3-8/h6-8H,2-5,11H2,1H3
InChIKeyPXHYQIHKYVMREB-UHFFFAOYSA-N
XLogP1.13
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
CID 106973483
2-[cyclopropyl-(6-methylsulfanylpyrimidin-4-yl)amino]acetic acid
CID 106972190
N'-cyclopropyl-N'-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 63761565
N'-cyclopropyl-N'-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66333463
6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 106973223
N'-butyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine
CID 106973654
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-6-methylsulfanylpyrimidin-4-amine
CID 106973266
N'-cyclopropyl-N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240927
N-cyclopropyl-6-hydrazinyl-N-propylpyrimidin-4-amine
CID 80895552
2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
CID 106973430
N'-cyclopropyl-N'-(5-methoxy-2-pyridinyl)ethane-1,2-diamine
CID 83833825
N'-cycloheptyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine
CID 66317669

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine (CID 106973855) is N'-cyclopropyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine is CSc1cc(N(CCN)C2CC2)ncn1.
What is the InChIKey of N'-cyclopropyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is PXHYQIHKYVMREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-15-10-6-9(12-7-13-10)14(5-4-11)8-2-3-8/h6-8H,2-5,11H2,1H3.
What are the key properties of N'-cyclopropyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine?
N'-cyclopropyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 224.33 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 106973855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).