4-(2-fluoroethylamino)-5-methoxy-1H-pyrimidin-6-one

C7H10FN3O2 — CID 137267632

IUPAC4-(2-fluoroethylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCCF)nc[nH]c1=O
InChIInChI=1S/C7H10FN3O2/c1-13-5-6(9-3-2-8)10-4-11-7(5)12/h4H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyWENLCVWEILQDRA-UHFFFAOYSA-N
MW187.17 g/mol
LogP0.16
Rot. Bonds4

About 4-(2-fluoroethylamino)-5-methoxy-1H-pyrimidin-6-one

4-(2-fluoroethylamino)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 137267632) has the molecular formula C7H10FN3O2 and a molecular weight of 187.17 g/mol. Its IUPAC name is 4-(2-fluoroethylamino)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-fluoroethylamino)-5-methoxy-1H-pyrimidin-6-one
PubChem CID137267632
Molecular FormulaC7H10FN3O2
Molecular Weight187.17 g/mol
Exact Mass187.08
IUPAC Name4-(2-fluoroethylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCCF)nc[nH]c1=O
InChIInChI=1S/C7H10FN3O2/c1-13-5-6(9-3-2-8)10-4-11-7(5)12/h4H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyWENLCVWEILQDRA-UHFFFAOYSA-N
XLogP0.16
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethylamino)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-fluoroethylamino)-5-methoxy-1H-pyrimidin-6-one (CID 137267632) is 4-(2-fluoroethylamino)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-fluoroethylamino)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-fluoroethylamino)-5-methoxy-1H-pyrimidin-6-one is COc1c(NCCF)nc[nH]c1=O.
What is the InChIKey of 4-(2-fluoroethylamino)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is WENLCVWEILQDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O2/c1-13-5-6(9-3-2-8)10-4-11-7(5)12/h4H,2-3H2,1H3,(H2,9,10,11,12).
What are the key properties of 4-(2-fluoroethylamino)-5-methoxy-1H-pyrimidin-6-one?
4-(2-fluoroethylamino)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 187.17 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethylamino)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 137267632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).