N-methyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine

C12H11N5S2 — CID 62189107

IUPACN-methyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSc2ncccn2)nc2sccc12
InChIInChI=1S/C12H11N5S2/c1-13-10-8-3-6-18-11(8)17-9(16-10)7-19-12-14-4-2-5-15-12/h2-6H,7H2,1H3,(H,13,16,17)
InChIKeyHPLLEYYNRNKWJA-UHFFFAOYSA-N
MW289.39 g/mol
LogP2.82
Rot. Bonds4

About N-methyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine

N-methyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62189107) has the molecular formula C12H11N5S2 and a molecular weight of 289.39 g/mol. Its IUPAC name is N-methyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID62189107
Molecular FormulaC12H11N5S2
Molecular Weight289.39 g/mol
Exact Mass289.05
IUPAC NameN-methyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSc2ncccn2)nc2sccc12
InChIInChI=1S/C12H11N5S2/c1-13-10-8-3-6-18-11(8)17-9(16-10)7-19-12-14-4-2-5-15-12/h2-6H,7H2,1H3,(H,13,16,17)
InChIKeyHPLLEYYNRNKWJA-UHFFFAOYSA-N
XLogP2.82
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62189283
2-[(4-fluorophenyl)sulfanylmethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62187683
2-(tert-butylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 55045128
3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol
CID 104591110
N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 104603999
2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62188910
N-methyl-2-(3-methylbutylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 107756644
N-methyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 63659080
2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79412131
2-(diethylaminomethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62178753
N-propyl-2-(pyrimidin-4-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 63695901
N-ethyl-2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 55045080

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 62189107) is N-methyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is CNc1nc(CSc2ncccn2)nc2sccc12.
What is the InChIKey of N-methyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HPLLEYYNRNKWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S2/c1-13-10-8-3-6-18-11(8)17-9(16-10)7-19-12-14-4-2-5-15-12/h2-6H,7H2,1H3,(H,13,16,17).
What are the key properties of N-methyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-methyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 289.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62189107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).