1-[(2R)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4-dione

C7H11FN4O2 — CID 91824265

IUPAC1-[(2R)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4-dione
SMILESNC[C@@H](N)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H11FN4O2/c8-5-3-12(2-4(10)1-9)7(14)11-6(5)13/h3-4H,1-2,9-10H2,(H,11,13,14)/t4-/m1/s1
InChIKeyZBKWVMMCABYTAU-SCSAIBSYSA-N
MW202.19 g/mol
LogP-2.04
Rot. Bonds3

About 1-[(2R)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4-dione

1-[(2R)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 91824265) has the molecular formula C7H11FN4O2 and a molecular weight of 202.19 g/mol. Its IUPAC name is 1-[(2R)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4-dione
PubChem CID91824265
Molecular FormulaC7H11FN4O2
Molecular Weight202.19 g/mol
Exact Mass202.09
IUPAC Name1-[(2R)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4-dione
SMILESNC[C@@H](N)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H11FN4O2/c8-5-3-12(2-4(10)1-9)7(14)11-6(5)13/h3-4H,1-2,9-10H2,(H,11,13,14)/t4-/m1/s1
InChIKeyZBKWVMMCABYTAU-SCSAIBSYSA-N
XLogP-2.04
TPSA106.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 5-2.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[(2R)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4-dione (CID 91824265) is 1-[(2R)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4-dione is NC[C@@H](N)Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is ZBKWVMMCABYTAU-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H11FN4O2/c8-5-3-12(2-4(10)1-9)7(14)11-6(5)13/h3-4H,1-2,9-10H2,(H,11,13,14)/t4-/m1/s1.
What are the key properties of 1-[(2R)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4-dione?
1-[(2R)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 202.19 g/mol, XLogP of -2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 91824265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).