7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione

C15H18FN5O2 — CID 59074242

IUPAC7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
SMILESNCC1CCN(c2nc3c(cc2F)c(=O)[nH]c(=O)n3C2CC2)C1
InChIInChI=1S/C15H18FN5O2/c16-11-5-10-12(18-13(11)20-4-3-8(6-17)7-20)21(9-1-2-9)15(23)19-14(10)22/h5,8-9H,1-4,6-7,17H2,(H,19,22,23)
InChIKeyGIPLTZPYKAJCCA-UHFFFAOYSA-N
MW319.34 g/mol
LogP0.34
Rot. Bonds3

About 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione

7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 59074242) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID59074242
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC Name7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
SMILESNCC1CCN(c2nc3c(cc2F)c(=O)[nH]c(=O)n3C2CC2)C1
InChIInChI=1S/C15H18FN5O2/c16-11-5-10-12(18-13(11)20-4-3-8(6-17)7-20)21(9-1-2-9)15(23)19-14(10)22/h5,8-9H,1-4,6-7,17H2,(H,19,22,23)
InChIKeyGIPLTZPYKAJCCA-UHFFFAOYSA-N
XLogP0.34
TPSA97.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione (CID 59074242) is 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione is NCC1CCN(c2nc3c(cc2F)c(=O)[nH]c(=O)n3C2CC2)C1.
What is the InChIKey of 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is GIPLTZPYKAJCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O2/c16-11-5-10-12(18-13(11)20-4-3-8(6-17)7-20)21(9-1-2-9)15(23)19-14(10)22/h5,8-9H,1-4,6-7,17H2,(H,19,22,23).
What are the key properties of 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 319.34 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 59074242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).