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

C13H19N3S2 — CID 107756644

IUPACN-methyl-2-(3-methylbutylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSCCC(C)C)nc2sccc12
InChIInChI=1S/C13H19N3S2/c1-9(2)4-6-17-8-11-15-12(14-3)10-5-7-18-13(10)16-11/h5,7,9H,4,6,8H2,1-3H3,(H,14,15,16)
InChIKeyJBROVWMIIJZIII-UHFFFAOYSA-N
MW281.45 g/mol
LogP4.01
Rot. Bonds6

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

N-methyl-2-(3-methylbutylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 107756644) has the molecular formula C13H19N3S2 and a molecular weight of 281.45 g/mol. Its IUPAC name is N-methyl-2-(3-methylbutylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(3-methylbutylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID107756644
Molecular FormulaC13H19N3S2
Molecular Weight281.45 g/mol
Exact Mass281.10
IUPAC NameN-methyl-2-(3-methylbutylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSCCC(C)C)nc2sccc12
InChIInChI=1S/C13H19N3S2/c1-9(2)4-6-17-8-11-15-12(14-3)10-5-7-18-13(10)16-11/h5,7,9H,4,6,8H2,1-3H3,(H,14,15,16)
InChIKeyJBROVWMIIJZIII-UHFFFAOYSA-N
XLogP4.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 63659080
2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62188910
2-(tert-butylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 55045128
2-[(4-fluorophenyl)sulfanylmethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62187683
N-methyl-2-(2-methylpropoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194454
N-methyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189107
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62189283
methyl 3-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate
CID 55051000
2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79412131
2-(diethylaminomethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62178753
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylbutylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(3-methylbutylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 107756644) is N-methyl-2-(3-methylbutylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(3-methylbutylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(3-methylbutylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is CNc1nc(CSCCC(C)C)nc2sccc12.
What is the InChIKey of N-methyl-2-(3-methylbutylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JBROVWMIIJZIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S2/c1-9(2)4-6-17-8-11-15-12(14-3)10-5-7-18-13(10)16-11/h5,7,9H,4,6,8H2,1-3H3,(H,14,15,16).
What are the key properties of N-methyl-2-(3-methylbutylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-methyl-2-(3-methylbutylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 281.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylbutylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 107756644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).