N'-methyl-N'-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine

C12H16N4S — CID 116977309

IUPACN'-methyl-N'-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESCc1ccsc1-c1cnc(N(C)CCN)nc1
InChIInChI=1S/C12H16N4S/c1-9-3-6-17-11(9)10-7-14-12(15-8-10)16(2)5-4-13/h3,6-8H,4-5,13H2,1-2H3
InChIKeyFJEUSUKLSSQGAZ-UHFFFAOYSA-N
MW248.36 g/mol
LogP1.91
Rot. Bonds4

About N'-methyl-N'-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine

N'-methyl-N'-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 116977309) has the molecular formula C12H16N4S and a molecular weight of 248.36 g/mol. Its IUPAC name is N'-methyl-N'-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID116977309
Molecular FormulaC12H16N4S
Molecular Weight248.36 g/mol
Exact Mass248.11
IUPAC NameN'-methyl-N'-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESCc1ccsc1-c1cnc(N(C)CCN)nc1
InChIInChI=1S/C12H16N4S/c1-9-3-6-17-11(9)10-7-14-12(15-8-10)16(2)5-4-13/h3,6-8H,4-5,13H2,1-2H3
InChIKeyFJEUSUKLSSQGAZ-UHFFFAOYSA-N
XLogP1.91
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine (CID 116977309) is N'-methyl-N'-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine is Cc1ccsc1-c1cnc(N(C)CCN)nc1.
What is the InChIKey of N'-methyl-N'-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is FJEUSUKLSSQGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-9-3-6-17-11(9)10-7-14-12(15-8-10)16(2)5-4-13/h3,6-8H,4-5,13H2,1-2H3.
What are the key properties of N'-methyl-N'-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine?
N'-methyl-N'-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 248.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 116977309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).