N-benzyl-2-butylthieno[3,2-d]pyrimidin-4-amine

C17H19N3S — CID 10590134

IUPACN-benzyl-2-butylthieno[3,2-d]pyrimidin-4-amine
SMILESCCCCc1nc(NCc2ccccc2)c2sccc2n1
InChIInChI=1S/C17H19N3S/c1-2-3-9-15-19-14-10-11-21-16(14)17(20-15)18-12-13-7-5-4-6-8-13/h4-8,10-11H,2-3,9,12H2,1H3,(H,18,19,20)
InChIKeyDVDMKLDPYXVOQQ-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.65
Rot. Bonds6

About N-benzyl-2-butylthieno[3,2-d]pyrimidin-4-amine

N-benzyl-2-butylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 10590134) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is N-benzyl-2-butylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-butylthieno[3,2-d]pyrimidin-4-amine
PubChem CID10590134
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC NameN-benzyl-2-butylthieno[3,2-d]pyrimidin-4-amine
SMILESCCCCc1nc(NCc2ccccc2)c2sccc2n1
InChIInChI=1S/C17H19N3S/c1-2-3-9-15-19-14-10-11-21-16(14)17(20-15)18-12-13-7-5-4-6-8-13/h4-8,10-11H,2-3,9,12H2,1H3,(H,18,19,20)
InChIKeyDVDMKLDPYXVOQQ-UHFFFAOYSA-N
XLogP4.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-butylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-butylthieno[3,2-d]pyrimidin-4-amine (CID 10590134) is N-benzyl-2-butylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-butylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-butylthieno[3,2-d]pyrimidin-4-amine is CCCCc1nc(NCc2ccccc2)c2sccc2n1.
What is the InChIKey of N-benzyl-2-butylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is DVDMKLDPYXVOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-2-3-9-15-19-14-10-11-21-16(14)17(20-15)18-12-13-7-5-4-6-8-13/h4-8,10-11H,2-3,9,12H2,1H3,(H,18,19,20).
What are the key properties of N-benzyl-2-butylthieno[3,2-d]pyrimidin-4-amine?
N-benzyl-2-butylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 297.43 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-butylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 10590134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).