N-cyclopropyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;1,2-difluorobenzene

C20H17F2N3OS — CID 166119791

IUPACN-cyclopropyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;1,2-difluorobenzene
SMILESCc1cc2c(NC3CC3)nc(-c3ccco3)nc2s1.Fc1ccccc1F
InChIInChI=1S/C14H13N3OS.C6H4F2/c1-8-7-10-12(15-9-4-5-9)16-13(17-14(10)19-8)11-3-2-6-18-11;7-5-3-1-2-4-6(5)8/h2-3,6-7,9H,4-5H2,1H3,(H,15,16,17);1-4H
InChIKeyUBSNNLLALFRCNL-UHFFFAOYSA-N
MW385.44 g/mol
LogP5.80
Rot. Bonds3

About N-cyclopropyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;1,2-difluorobenzene

N-cyclopropyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;1,2-difluorobenzene (PubChem CID 166119791) has the molecular formula C20H17F2N3OS and a molecular weight of 385.44 g/mol. Its IUPAC name is N-cyclopropyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;1,2-difluorobenzene.

Molecular Properties

Compound NameN-cyclopropyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;1,2-difluorobenzene
PubChem CID166119791
Molecular FormulaC20H17F2N3OS
Molecular Weight385.44 g/mol
Exact Mass385.11
IUPAC NameN-cyclopropyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;1,2-difluorobenzene
SMILESCc1cc2c(NC3CC3)nc(-c3ccco3)nc2s1.Fc1ccccc1F
InChIInChI=1S/C14H13N3OS.C6H4F2/c1-8-7-10-12(15-9-4-5-9)16-13(17-14(10)19-8)11-3-2-6-18-11;7-5-3-1-2-4-6(5)8/h2-3,6-7,9H,4-5H2,1H3,(H,15,16,17);1-4H
InChIKeyUBSNNLLALFRCNL-UHFFFAOYSA-N
XLogP5.80
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.44
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;1,2-difluorobenzene?
The IUPAC name of N-cyclopropyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;1,2-difluorobenzene (CID 166119791) is N-cyclopropyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;1,2-difluorobenzene.
What is the SMILES notation for N-cyclopropyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;1,2-difluorobenzene?
The canonical SMILES for N-cyclopropyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;1,2-difluorobenzene is Cc1cc2c(NC3CC3)nc(-c3ccco3)nc2s1.Fc1ccccc1F.
What is the InChIKey of N-cyclopropyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;1,2-difluorobenzene?
The InChIKey is UBSNNLLALFRCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS.C6H4F2/c1-8-7-10-12(15-9-4-5-9)16-13(17-14(10)19-8)11-3-2-6-18-11;7-5-3-1-2-4-6(5)8/h2-3,6-7,9H,4-5H2,1H3,(H,15,16,17);1-4H.
What are the key properties of N-cyclopropyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;1,2-difluorobenzene?
N-cyclopropyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;1,2-difluorobenzene has a molecular weight of 385.44 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;1,2-difluorobenzene is sourced from PubChem (CID 166119791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).