6-[3-fluoro-5-(2-pyrrolidin-1-ylethylamino)phenyl]pyrido[3,2-d]pyrimidin-4-amine

C19H21FN6 — CID 72703724

IUPAC6-[3-fluoro-5-(2-pyrrolidin-1-ylethylamino)phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2ccc(-c3cc(F)cc(NCCN4CCCC4)c3)nc12
InChIInChI=1S/C19H21FN6/c20-14-9-13(10-15(11-14)22-5-8-26-6-1-2-7-26)16-3-4-17-18(25-16)19(21)24-12-23-17/h3-4,9-12,22H,1-2,5-8H2,(H2,21,23,24)
InChIKeyHFIRKJVPPWUORL-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.92
Rot. Bonds5

About 6-[3-fluoro-5-(2-pyrrolidin-1-ylethylamino)phenyl]pyrido[3,2-d]pyrimidin-4-amine

6-[3-fluoro-5-(2-pyrrolidin-1-ylethylamino)phenyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 72703724) has the molecular formula C19H21FN6 and a molecular weight of 352.42 g/mol. Its IUPAC name is 6-[3-fluoro-5-(2-pyrrolidin-1-ylethylamino)phenyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-fluoro-5-(2-pyrrolidin-1-ylethylamino)phenyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID72703724
Molecular FormulaC19H21FN6
Molecular Weight352.42 g/mol
Exact Mass352.18
IUPAC Name6-[3-fluoro-5-(2-pyrrolidin-1-ylethylamino)phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2ccc(-c3cc(F)cc(NCCN4CCCC4)c3)nc12
InChIInChI=1S/C19H21FN6/c20-14-9-13(10-15(11-14)22-5-8-26-6-1-2-7-26)16-3-4-17-18(25-16)19(21)24-12-23-17/h3-4,9-12,22H,1-2,5-8H2,(H2,21,23,24)
InChIKeyHFIRKJVPPWUORL-UHFFFAOYSA-N
XLogP2.92
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-5-(2-pyrrolidin-1-ylethylamino)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-[3-fluoro-5-(2-pyrrolidin-1-ylethylamino)phenyl]pyrido[3,2-d]pyrimidin-4-amine (CID 72703724) is 6-[3-fluoro-5-(2-pyrrolidin-1-ylethylamino)phenyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[3-fluoro-5-(2-pyrrolidin-1-ylethylamino)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-[3-fluoro-5-(2-pyrrolidin-1-ylethylamino)phenyl]pyrido[3,2-d]pyrimidin-4-amine is Nc1ncnc2ccc(-c3cc(F)cc(NCCN4CCCC4)c3)nc12.
What is the InChIKey of 6-[3-fluoro-5-(2-pyrrolidin-1-ylethylamino)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is HFIRKJVPPWUORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6/c20-14-9-13(10-15(11-14)22-5-8-26-6-1-2-7-26)16-3-4-17-18(25-16)19(21)24-12-23-17/h3-4,9-12,22H,1-2,5-8H2,(H2,21,23,24).
What are the key properties of 6-[3-fluoro-5-(2-pyrrolidin-1-ylethylamino)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
6-[3-fluoro-5-(2-pyrrolidin-1-ylethylamino)phenyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 352.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-5-(2-pyrrolidin-1-ylethylamino)phenyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 72703724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).