N,N-diethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine

C16H17N3S — CID 705965

IUPACN,N-diethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN(CC)c1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C16H17N3S/c1-3-19(4-2)15-13-10-14(12-8-6-5-7-9-12)20-16(13)18-11-17-15/h5-11H,3-4H2,1-2H3
InChIKeyYAJMHFAINLVTDH-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.20
Rot. Bonds4

About N,N-diethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine

N,N-diethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 705965) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N,N-diethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID705965
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN,N-diethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN(CC)c1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C16H17N3S/c1-3-19(4-2)15-13-10-14(12-8-6-5-7-9-12)20-16(13)18-11-17-15/h5-11H,3-4H2,1-2H3
InChIKeyYAJMHFAINLVTDH-UHFFFAOYSA-N
XLogP4.20
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,N-diethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine (CID 705965) is N,N-diethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,N-diethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,N-diethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine is CCN(CC)c1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of N,N-diethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YAJMHFAINLVTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-3-19(4-2)15-13-10-14(12-8-6-5-7-9-12)20-16(13)18-11-17-15/h5-11H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine?
N,N-diethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 283.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 705965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).