4-N,2,5-trimethyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine

C13H18N4S — CID 80849972

IUPAC4-N,2,5-trimethyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(N(C)CCc2cccs2)n1
InChIInChI=1S/C13H18N4S/c1-9-12(14)15-10(2)16-13(9)17(3)7-6-11-5-4-8-18-11/h4-5,8H,6-7H2,1-3H3,(H2,14,15,16)
InChIKeyIWPORFNHUMJSQA-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.42
Rot. Bonds4

About 4-N,2,5-trimethyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine

4-N,2,5-trimethyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80849972) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-N,2,5-trimethyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,2,5-trimethyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
PubChem CID80849972
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name4-N,2,5-trimethyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(N(C)CCc2cccs2)n1
InChIInChI=1S/C13H18N4S/c1-9-12(14)15-10(2)16-13(9)17(3)7-6-11-5-4-8-18-11/h4-5,8H,6-7H2,1-3H3,(H2,14,15,16)
InChIKeyIWPORFNHUMJSQA-UHFFFAOYSA-N
XLogP2.42
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-methyl-6-[methyl(2-thiophen-2-ylethyl)amino]pyrimidine-5-carbaldehyde
CID 80731639
4-(aminomethyl)-N,5,6-trimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine
CID 79470373
6-N-methyl-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine
CID 80652044
5-amino-6-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxamide
CID 114406981
4-N,2-dimethyl-4-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine
CID 79475986
1-N,4-dimethyl-1-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine
CID 79475627
2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 79475919
4,6-dimethyl-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
CID 79494614
[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol
CID 79489158
4-N-(cyclopropylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80798139
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80794484

Frequently Asked Questions

What is the IUPAC name of 4-N,2,5-trimethyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,2,5-trimethyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine (CID 80849972) is 4-N,2,5-trimethyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,2,5-trimethyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,2,5-trimethyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine is Cc1nc(N)c(C)c(N(C)CCc2cccs2)n1.
What is the InChIKey of 4-N,2,5-trimethyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is IWPORFNHUMJSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9-12(14)15-10(2)16-13(9)17(3)7-6-11-5-4-8-18-11/h4-5,8H,6-7H2,1-3H3,(H2,14,15,16).
What are the key properties of 4-N,2,5-trimethyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
4-N,2,5-trimethyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 262.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2,5-trimethyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80849972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).