2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine

C11H15N3S — CID 79412131

IUPAC2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCc1nc(NC)c2ccsc2n1
InChIInChI=1S/C11H15N3S/c1-3-4-5-9-13-10(12-2)8-6-7-15-11(8)14-9/h6-7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyRWPIUTFVERWGMG-UHFFFAOYSA-N
MW221.33 g/mol
LogP3.08
Rot. Bonds4

About 2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine

2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 79412131) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID79412131
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCc1nc(NC)c2ccsc2n1
InChIInChI=1S/C11H15N3S/c1-3-4-5-9-13-10(12-2)8-6-7-15-11(8)14-9/h6-7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyRWPIUTFVERWGMG-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{Thieno[2,3-d]pyrimidin-4-yl}piperazine
CID 16768198
4-Aminothieno(2,3-d)pyrimidine
CID 4269486
N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 3469075
[Phosphono-(thieno[2,3-d]pyrimidin-4-ylamino)methyl]phosphonic acid
CID 71583204
2-Methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
CID 2139595
N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 155529141
N,N-diethylthieno[2,3-d]pyrimidin-4-amine
CID 2808589
5-methyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 44379610
N-butyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 50946929
4-N,4-N-dimethyl-1-N-thieno[2,3-d]pyrimidin-4-ylcyclohexane-1,4-diamine
CID 117826679
Thieno(2,3-d)pyrimidine, 4-(4-methyl-1-piperazinyl)-, hydrochloride
CID 216792
Thieno[2,3-d]pyrimidine-2,4-diamine
CID 14642747

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 79412131) is 2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine is CCCCc1nc(NC)c2ccsc2n1.
What is the InChIKey of 2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RWPIUTFVERWGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-4-5-9-13-10(12-2)8-6-7-15-11(8)14-9/h6-7H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 221.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 79412131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).