2-[5-(difluoromethyl)furan-2-yl]-6-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C19H15F2N3O2S — CID 45274426

IUPAC2-[5-(difluoromethyl)furan-2-yl]-6-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1Cc1cc2c(N)nc(-c3ccc(C(F)F)o3)nc2s1
InChIInChI=1S/C19H15F2N3O2S/c1-25-13-5-3-2-4-10(13)8-11-9-12-17(22)23-18(24-19(12)27-11)15-7-6-14(26-15)16(20)21/h2-7,9,16H,8H2,1H3,(H2,22,23,24)
InChIKeyUAGQRYJXRUJZTP-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.07
Rot. Bonds5

About 2-[5-(difluoromethyl)furan-2-yl]-6-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

2-[5-(difluoromethyl)furan-2-yl]-6-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45274426) has the molecular formula C19H15F2N3O2S and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)furan-2-yl]-6-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[5-(difluoromethyl)furan-2-yl]-6-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID45274426
Molecular FormulaC19H15F2N3O2S
Molecular Weight387.41 g/mol
Exact Mass387.09
IUPAC Name2-[5-(difluoromethyl)furan-2-yl]-6-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1Cc1cc2c(N)nc(-c3ccc(C(F)F)o3)nc2s1
InChIInChI=1S/C19H15F2N3O2S/c1-25-13-5-3-2-4-10(13)8-11-9-12-17(22)23-18(24-19(12)27-11)15-7-6-14(26-15)16(20)21/h2-7,9,16H,8H2,1H3,(H2,22,23,24)
InChIKeyUAGQRYJXRUJZTP-UHFFFAOYSA-N
XLogP5.07
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)furan-2-yl]-6-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[5-(difluoromethyl)furan-2-yl]-6-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 45274426) is 2-[5-(difluoromethyl)furan-2-yl]-6-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[5-(difluoromethyl)furan-2-yl]-6-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[5-(difluoromethyl)furan-2-yl]-6-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is COc1ccccc1Cc1cc2c(N)nc(-c3ccc(C(F)F)o3)nc2s1.
What is the InChIKey of 2-[5-(difluoromethyl)furan-2-yl]-6-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UAGQRYJXRUJZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2S/c1-25-13-5-3-2-4-10(13)8-11-9-12-17(22)23-18(24-19(12)27-11)15-7-6-14(26-15)16(20)21/h2-7,9,16H,8H2,1H3,(H2,22,23,24).
What are the key properties of 2-[5-(difluoromethyl)furan-2-yl]-6-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-[5-(difluoromethyl)furan-2-yl]-6-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 387.41 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)furan-2-yl]-6-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45274426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).