4-amino-1-(3-aminocyclopentyl)-5-fluoropyrimidin-2-one

C9H13FN4O — CID 66649440

IUPAC4-amino-1-(3-aminocyclopentyl)-5-fluoropyrimidin-2-one
SMILESNc1nc(=O)n(C2CCC(N)C2)cc1F
InChIInChI=1S/C9H13FN4O/c10-7-4-14(9(15)13-8(7)12)6-2-1-5(11)3-6/h4-6H,1-3,11H2,(H2,12,13,15)
InChIKeyJVWQGEYJWIDMQP-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.02
Rot. Bonds1

About 4-amino-1-(3-aminocyclopentyl)-5-fluoropyrimidin-2-one

4-amino-1-(3-aminocyclopentyl)-5-fluoropyrimidin-2-one (PubChem CID 66649440) has the molecular formula C9H13FN4O and a molecular weight of 212.23 g/mol. Its IUPAC name is 4-amino-1-(3-aminocyclopentyl)-5-fluoropyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(3-aminocyclopentyl)-5-fluoropyrimidin-2-one
PubChem CID66649440
Molecular FormulaC9H13FN4O
Molecular Weight212.23 g/mol
Exact Mass212.11
IUPAC Name4-amino-1-(3-aminocyclopentyl)-5-fluoropyrimidin-2-one
SMILESNc1nc(=O)n(C2CCC(N)C2)cc1F
InChIInChI=1S/C9H13FN4O/c10-7-4-14(9(15)13-8(7)12)6-2-1-5(11)3-6/h4-6H,1-3,11H2,(H2,12,13,15)
InChIKeyJVWQGEYJWIDMQP-UHFFFAOYSA-N
XLogP0.02
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-aminocyclopentyl)-5-fluoropyrimidin-2-one?
The IUPAC name of 4-amino-1-(3-aminocyclopentyl)-5-fluoropyrimidin-2-one (CID 66649440) is 4-amino-1-(3-aminocyclopentyl)-5-fluoropyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(3-aminocyclopentyl)-5-fluoropyrimidin-2-one?
The canonical SMILES for 4-amino-1-(3-aminocyclopentyl)-5-fluoropyrimidin-2-one is Nc1nc(=O)n(C2CCC(N)C2)cc1F.
What is the InChIKey of 4-amino-1-(3-aminocyclopentyl)-5-fluoropyrimidin-2-one?
The InChIKey is JVWQGEYJWIDMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O/c10-7-4-14(9(15)13-8(7)12)6-2-1-5(11)3-6/h4-6H,1-3,11H2,(H2,12,13,15).
What are the key properties of 4-amino-1-(3-aminocyclopentyl)-5-fluoropyrimidin-2-one?
4-amino-1-(3-aminocyclopentyl)-5-fluoropyrimidin-2-one has a molecular weight of 212.23 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-aminocyclopentyl)-5-fluoropyrimidin-2-one is sourced from PubChem (CID 66649440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).