N'-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine

C13H18N4S — CID 103279448

IUPACN'-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine
SMILESCCc1ccc(-c2ccnc(N(C)CCN)n2)s1
InChIInChI=1S/C13H18N4S/c1-3-10-4-5-12(18-10)11-6-8-15-13(16-11)17(2)9-7-14/h4-6,8H,3,7,9,14H2,1-2H3
InChIKeyYWAHDCXVFRXSKY-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.16
Rot. Bonds5

About N'-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine

N'-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine (PubChem CID 103279448) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N'-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine
PubChem CID103279448
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN'-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine
SMILESCCc1ccc(-c2ccnc(N(C)CCN)n2)s1
InChIInChI=1S/C13H18N4S/c1-3-10-4-5-12(18-10)11-6-8-15-13(16-11)17(2)9-7-14/h4-6,8H,3,7,9,14H2,1-2H3
InChIKeyYWAHDCXVFRXSKY-UHFFFAOYSA-N
XLogP2.16
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine (CID 103279448) is N'-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine is CCc1ccc(-c2ccnc(N(C)CCN)n2)s1.
What is the InChIKey of N'-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine?
The InChIKey is YWAHDCXVFRXSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-3-10-4-5-12(18-10)11-6-8-15-13(16-11)17(2)9-7-14/h4-6,8H,3,7,9,14H2,1-2H3.
What are the key properties of N'-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine?
N'-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine has a molecular weight of 262.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 103279448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).