N-butan-2-ylthieno[2,3-d]pyrimidin-4-amine

C10H13N3S — CID 2808609

IUPACN-butan-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCC(C)Nc1ncnc2sccc12
InChIInChI=1S/C10H13N3S/c1-3-7(2)13-9-8-4-5-14-10(8)12-6-11-9/h4-7H,3H2,1-2H3,(H,11,12,13)
InChIKeyARMNWWVIAVOYNY-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.90
Rot. Bonds3

About N-butan-2-ylthieno[2,3-d]pyrimidin-4-amine

N-butan-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2808609) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is N-butan-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2808609
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC NameN-butan-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCC(C)Nc1ncnc2sccc12
InChIInChI=1S/C10H13N3S/c1-3-7(2)13-9-8-4-5-14-10(8)12-6-11-9/h4-7H,3H2,1-2H3,(H,11,12,13)
InChIKeyARMNWWVIAVOYNY-UHFFFAOYSA-N
XLogP2.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-butan-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 2808609) is N-butan-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-butan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-butan-2-ylthieno[2,3-d]pyrimidin-4-amine is CCC(C)Nc1ncnc2sccc12.
What is the InChIKey of N-butan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ARMNWWVIAVOYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-3-7(2)13-9-8-4-5-14-10(8)12-6-11-9/h4-7H,3H2,1-2H3,(H,11,12,13).
What are the key properties of N-butan-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-butan-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 207.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2808609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).