N-tert-butyl-2-chloro-7-methylthieno[3,2-d]pyrimidin-4-amine

C11H14ClN3S — CID 18326429

IUPACN-tert-butyl-2-chloro-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NC(C)(C)C)nc(Cl)nc12
InChIInChI=1S/C11H14ClN3S/c1-6-5-16-8-7(6)13-10(12)14-9(8)15-11(2,3)4/h5H,1-4H3,(H,13,14,15)
InChIKeyBWVVGAHHFXLBKF-UHFFFAOYSA-N
MW255.77 g/mol
LogP3.86
Rot. Bonds1

About N-tert-butyl-2-chloro-7-methylthieno[3,2-d]pyrimidin-4-amine

N-tert-butyl-2-chloro-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 18326429) has the molecular formula C11H14ClN3S and a molecular weight of 255.77 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID18326429
Molecular FormulaC11H14ClN3S
Molecular Weight255.77 g/mol
Exact Mass255.06
IUPAC NameN-tert-butyl-2-chloro-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NC(C)(C)C)nc(Cl)nc12
InChIInChI=1S/C11H14ClN3S/c1-6-5-16-8-7(6)13-10(12)14-9(8)15-11(2,3)4/h5H,1-4H3,(H,13,14,15)
InChIKeyBWVVGAHHFXLBKF-UHFFFAOYSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-tert-butyl-2-chloro-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 18326429) is N-tert-butyl-2-chloro-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-2-chloro-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-2-chloro-7-methylthieno[3,2-d]pyrimidin-4-amine is Cc1csc2c(NC(C)(C)C)nc(Cl)nc12.
What is the InChIKey of N-tert-butyl-2-chloro-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is BWVVGAHHFXLBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3S/c1-6-5-16-8-7(6)13-10(12)14-9(8)15-11(2,3)4/h5H,1-4H3,(H,13,14,15).
What are the key properties of N-tert-butyl-2-chloro-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-tert-butyl-2-chloro-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 255.77 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 18326429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).