2-tert-butylthieno[3,2-d]pyrimidin-4-amine

C10H13N3S — CID 159894011

IUPAC2-tert-butylthieno[3,2-d]pyrimidin-4-amine
SMILESCC(C)(C)c1nc(N)c2sccc2n1
InChIInChI=1S/C10H13N3S/c1-10(2,3)9-12-6-4-5-14-7(6)8(11)13-9/h4-5H,1-3H3,(H2,11,12,13)
InChIKeyNVCOQRHZIIXGNB-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.57
Rot. Bonds

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

2-tert-butylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 159894011) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-tert-butylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butylthieno[3,2-d]pyrimidin-4-amine
PubChem CID159894011
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name2-tert-butylthieno[3,2-d]pyrimidin-4-amine
SMILESCC(C)(C)c1nc(N)c2sccc2n1
InChIInChI=1S/C10H13N3S/c1-10(2,3)9-12-6-4-5-14-7(6)8(11)13-9/h4-5H,1-3H3,(H2,11,12,13)
InChIKeyNVCOQRHZIIXGNB-UHFFFAOYSA-N
XLogP2.57
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-tert-butylthieno[3,2-d]pyrimidin-4-amine (CID 159894011) is 2-tert-butylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butylthieno[3,2-d]pyrimidin-4-amine is CC(C)(C)c1nc(N)c2sccc2n1.
What is the InChIKey of 2-tert-butylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is NVCOQRHZIIXGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-10(2,3)9-12-6-4-5-14-7(6)8(11)13-9/h4-5H,1-3H3,(H2,11,12,13).
What are the key properties of 2-tert-butylthieno[3,2-d]pyrimidin-4-amine?
2-tert-butylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 207.30 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 159894011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).