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

C14H13N3S — CID 9280527

IUPACN,N-dimethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C14H13N3S/c1-17(2)13-11-8-12(10-6-4-3-5-7-10)18-14(11)16-9-15-13/h3-9H,1-2H3
InChIKeyJUXUSGAZQWXVOV-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.42
Rot. Bonds2

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

N,N-dimethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 9280527) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is N,N-dimethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID9280527
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC NameN,N-dimethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C14H13N3S/c1-17(2)13-11-8-12(10-6-4-3-5-7-10)18-14(11)16-9-15-13/h3-9H,1-2H3
InChIKeyJUXUSGAZQWXVOV-UHFFFAOYSA-N
XLogP3.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine (CID 9280527) is N,N-dimethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine is CN(C)c1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of N,N-dimethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JUXUSGAZQWXVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-17(2)13-11-8-12(10-6-4-3-5-7-10)18-14(11)16-9-15-13/h3-9H,1-2H3.
What are the key properties of N,N-dimethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine?
N,N-dimethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 255.35 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 9280527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).