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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Related Compounds

N'-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N'-methylethane-1,2-diamine
CID 103279381
N'-methyl-N'-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 116977309
N'-methyl-N'-thiophen-2-ylethane-1,2-diamine
CID 96634753
N'-methyl-N'-(7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine
CID 83839204
5-butyl-3-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-1H-pyrazol-4-amine
CID 68885981
(2-methyl-4-thiophen-2-yl-1H-imidazol-5-yl)methanamine
CID 82281661
2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethanamine
CID 39101600
N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 62686633
N'-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine
CID 116977295
2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 116796444
N'-methyl-N'-([1,2]oxazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine
CID 83830323
N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 103279487

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).