6-tert-butyl-N-ethyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine

C16H23N3S — CID 63480834

IUPAC6-tert-butyl-N-ethyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc(-c2ccc(CC)s2)n1
InChIInChI=1S/C16H23N3S/c1-6-11-8-9-12(20-11)15-18-13(16(3,4)5)10-14(19-15)17-7-2/h8-10H,6-7H2,1-5H3,(H,17,18,19)
InChIKeyFSPXAVPXOSGFPL-UHFFFAOYSA-N
MW289.45 g/mol
LogP4.50
Rot. Bonds4

About 6-tert-butyl-N-ethyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine

6-tert-butyl-N-ethyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine (PubChem CID 63480834) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 6-tert-butyl-N-ethyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-ethyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine
PubChem CID63480834
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name6-tert-butyl-N-ethyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc(-c2ccc(CC)s2)n1
InChIInChI=1S/C16H23N3S/c1-6-11-8-9-12(20-11)15-18-13(16(3,4)5)10-14(19-15)17-7-2/h8-10H,6-7H2,1-5H3,(H,17,18,19)
InChIKeyFSPXAVPXOSGFPL-UHFFFAOYSA-N
XLogP4.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-ethyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-ethyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine (CID 63480834) is 6-tert-butyl-N-ethyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-ethyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-ethyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine is CCNc1cc(C(C)(C)C)nc(-c2ccc(CC)s2)n1.
What is the InChIKey of 6-tert-butyl-N-ethyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine?
The InChIKey is FSPXAVPXOSGFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-6-11-8-9-12(20-11)15-18-13(16(3,4)5)10-14(19-15)17-7-2/h8-10H,6-7H2,1-5H3,(H,17,18,19).
What are the key properties of 6-tert-butyl-N-ethyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine?
6-tert-butyl-N-ethyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine has a molecular weight of 289.45 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-ethyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 63480834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).