N'-methyl-N'-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine

C12H16N4S — CID 103279513

IUPACN'-methyl-N'-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCc1cnc(N(C)CCN)nc1-c1cccs1
InChIInChI=1S/C12H16N4S/c1-9-8-14-12(16(2)6-5-13)15-11(9)10-4-3-7-17-10/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyOMNKFTZGRAQSRF-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.91
Rot. Bonds4

About N'-methyl-N'-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine

N'-methyl-N'-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 103279513) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is N'-methyl-N'-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine
PubChem CID103279513
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC NameN'-methyl-N'-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCc1cnc(N(C)CCN)nc1-c1cccs1
InChIInChI=1S/C12H16N4S/c1-9-8-14-12(16(2)6-5-13)15-11(9)10-4-3-7-17-10/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyOMNKFTZGRAQSRF-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 ≤ 500248.35
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-methyl-4-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine (CID 103279513) is N'-methyl-N'-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine is Cc1cnc(N(C)CCN)nc1-c1cccs1.
What is the InChIKey of N'-methyl-N'-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is OMNKFTZGRAQSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-9-8-14-12(16(2)6-5-13)15-11(9)10-4-3-7-17-10/h3-4,7-8H,5-6,13H2,1-2H3.
What are the key properties of N'-methyl-N'-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine?
N'-methyl-N'-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 248.35 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-methyl-4-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 103279513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).