4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine

C12H13FN4 — CID 163347877

IUPAC4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine
SMILESFCC1CCN(c2ncnc3cnccc23)C1
InChIInChI=1S/C12H13FN4/c13-5-9-2-4-17(7-9)12-10-1-3-14-6-11(10)15-8-16-12/h1,3,6,8-9H,2,4-5,7H2
InChIKeyXHIYTRBKIMEIPH-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.82
Rot. Bonds2

About 4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine

4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine (PubChem CID 163347877) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine
PubChem CID163347877
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine
SMILESFCC1CCN(c2ncnc3cnccc23)C1
InChIInChI=1S/C12H13FN4/c13-5-9-2-4-17(7-9)12-10-1-3-14-6-11(10)15-8-16-12/h1,3,6,8-9H,2,4-5,7H2
InChIKeyXHIYTRBKIMEIPH-UHFFFAOYSA-N
XLogP1.82
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine?
The IUPAC name of 4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine (CID 163347877) is 4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine is FCC1CCN(c2ncnc3cnccc23)C1.
What is the InChIKey of 4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine?
The InChIKey is XHIYTRBKIMEIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c13-5-9-2-4-17(7-9)12-10-1-3-14-6-11(10)15-8-16-12/h1,3,6,8-9H,2,4-5,7H2.
What are the key properties of 4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine?
4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine has a molecular weight of 232.26 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 163347877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).