N-[2,3-difluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidin-4-amine

C17H11F2N5OS — CID 57095966

IUPACN-[2,3-difluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESFc1c(Nc2ncnc3cnccc23)ccc(OCc2nccs2)c1F
InChIInChI=1S/C17H11F2N5OS/c18-15-11(24-17-10-3-4-20-7-12(10)22-9-23-17)1-2-13(16(15)19)25-8-14-21-5-6-26-14/h1-7,9H,8H2,(H,22,23,24)
InChIKeyITGICKXJWLDSLM-UHFFFAOYSA-N
MW371.37 g/mol
LogP4.08
Rot. Bonds5

About N-[2,3-difluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidin-4-amine

N-[2,3-difluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 57095966) has the molecular formula C17H11F2N5OS and a molecular weight of 371.37 g/mol. Its IUPAC name is N-[2,3-difluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2,3-difluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidin-4-amine
PubChem CID57095966
Molecular FormulaC17H11F2N5OS
Molecular Weight371.37 g/mol
Exact Mass371.07
IUPAC NameN-[2,3-difluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESFc1c(Nc2ncnc3cnccc23)ccc(OCc2nccs2)c1F
InChIInChI=1S/C17H11F2N5OS/c18-15-11(24-17-10-3-4-20-7-12(10)22-9-23-17)1-2-13(16(15)19)25-8-14-21-5-6-26-14/h1-7,9H,8H2,(H,22,23,24)
InChIKeyITGICKXJWLDSLM-UHFFFAOYSA-N
XLogP4.08
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-difluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2,3-difluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidin-4-amine (CID 57095966) is N-[2,3-difluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2,3-difluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2,3-difluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidin-4-amine is Fc1c(Nc2ncnc3cnccc23)ccc(OCc2nccs2)c1F.
What is the InChIKey of N-[2,3-difluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is ITGICKXJWLDSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5OS/c18-15-11(24-17-10-3-4-20-7-12(10)22-9-23-17)1-2-13(16(15)19)25-8-14-21-5-6-26-14/h1-7,9H,8H2,(H,22,23,24).
What are the key properties of N-[2,3-difluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidin-4-amine?
N-[2,3-difluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 371.37 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-difluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 57095966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).