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

C18H21N3S — CID 10852535

IUPACN-benzyl-2-butyl-N-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCCCCc1nc(N(C)Cc2ccccc2)c2sccc2n1
InChIInChI=1S/C18H21N3S/c1-3-4-10-16-19-15-11-12-22-17(15)18(20-16)21(2)13-14-8-6-5-7-9-14/h5-9,11-12H,3-4,10,13H2,1-2H3
InChIKeyXTLFJQHSJDFVCH-UHFFFAOYSA-N
MW311.45 g/mol
LogP4.67
Rot. Bonds6

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

N-benzyl-2-butyl-N-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 10852535) has the molecular formula C18H21N3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-benzyl-2-butyl-N-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-butyl-N-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID10852535
Molecular FormulaC18H21N3S
Molecular Weight311.45 g/mol
Exact Mass311.15
IUPAC NameN-benzyl-2-butyl-N-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCCCCc1nc(N(C)Cc2ccccc2)c2sccc2n1
InChIInChI=1S/C18H21N3S/c1-3-4-10-16-19-15-11-12-22-17(15)18(20-16)21(2)13-14-8-6-5-7-9-14/h5-9,11-12H,3-4,10,13H2,1-2H3
InChIKeyXTLFJQHSJDFVCH-UHFFFAOYSA-N
XLogP4.67
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-butyl-N-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-butyl-N-methylthieno[3,2-d]pyrimidin-4-amine (CID 10852535) is N-benzyl-2-butyl-N-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-butyl-N-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-butyl-N-methylthieno[3,2-d]pyrimidin-4-amine is CCCCc1nc(N(C)Cc2ccccc2)c2sccc2n1.
What is the InChIKey of N-benzyl-2-butyl-N-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is XTLFJQHSJDFVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3S/c1-3-4-10-16-19-15-11-12-22-17(15)18(20-16)21(2)13-14-8-6-5-7-9-14/h5-9,11-12H,3-4,10,13H2,1-2H3.
What are the key properties of N-benzyl-2-butyl-N-methylthieno[3,2-d]pyrimidin-4-amine?
N-benzyl-2-butyl-N-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 311.45 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-butyl-N-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 10852535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).