2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine

C10H12N4S — CID 116796444

IUPAC2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(Cc1cccs1)c1nccc(N)n1
InChIInChI=1S/C10H12N4S/c1-14(7-8-3-2-6-15-8)10-12-5-4-9(11)13-10/h2-6H,7H2,1H3,(H2,11,12,13)
InChIKeyLQMRQJFFOUAMLU-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.76
Rot. Bonds3

About 2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine

2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 116796444) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID116796444
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(Cc1cccs1)c1nccc(N)n1
InChIInChI=1S/C10H12N4S/c1-14(7-8-3-2-6-15-8)10-12-5-4-9(11)13-10/h2-6H,7H2,1H3,(H2,11,12,13)
InChIKeyLQMRQJFFOUAMLU-UHFFFAOYSA-N
XLogP1.76
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-2,5-diamine
CID 43527362
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 116796777
4-N-methyl-6-piperidin-1-yl-4-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80774971
6-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62238783
6-N-methyl-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine
CID 80652044
5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80781687
3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43528549
3-bromo-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 106876592
(4S)-N-[(4-aminopyrimidin-2-yl)methyl]-N-methyl-1-(thiophen-2-ylmethyl)azepan-4-amine
CID 129339400
5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 113388061
3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114057374
4-N-methyl-4-N-(thiophen-2-ylmethyl)-1H-pyrazole-4,5-diamine
CID 82236281

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine (CID 116796444) is 2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine is CN(Cc1cccs1)c1nccc(N)n1.
What is the InChIKey of 2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is LQMRQJFFOUAMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-14(7-8-3-2-6-15-8)10-12-5-4-9(11)13-10/h2-6H,7H2,1H3,(H2,11,12,13).
What are the key properties of 2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 220.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116796444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).