3-[3-(cyclopropylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one

C10H14IN3O2 — CID 66308634

IUPAC3-[3-(cyclopropylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one
SMILESO=c1c(I)cncn1CC(O)CNC1CC1
InChIInChI=1S/C10H14IN3O2/c11-9-4-12-6-14(10(9)16)5-8(15)3-13-7-1-2-7/h4,6-8,13,15H,1-3,5H2
InChIKeyCMNMQBXIZJTHKU-UHFFFAOYSA-N
MW335.15 g/mol
LogP-0.04
Rot. Bonds5

About 3-[3-(cyclopropylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one

3-[3-(cyclopropylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one (PubChem CID 66308634) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 3-[3-(cyclopropylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(cyclopropylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one
PubChem CID66308634
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name3-[3-(cyclopropylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one
SMILESO=c1c(I)cncn1CC(O)CNC1CC1
InChIInChI=1S/C10H14IN3O2/c11-9-4-12-6-14(10(9)16)5-8(15)3-13-7-1-2-7/h4,6-8,13,15H,1-3,5H2
InChIKeyCMNMQBXIZJTHKU-UHFFFAOYSA-N
XLogP-0.04
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one?
The IUPAC name of 3-[3-(cyclopropylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one (CID 66308634) is 3-[3-(cyclopropylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one.
What is the SMILES notation for 3-[3-(cyclopropylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one?
The canonical SMILES for 3-[3-(cyclopropylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one is O=c1c(I)cncn1CC(O)CNC1CC1.
What is the InChIKey of 3-[3-(cyclopropylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one?
The InChIKey is CMNMQBXIZJTHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c11-9-4-12-6-14(10(9)16)5-8(15)3-13-7-1-2-7/h4,6-8,13,15H,1-3,5H2.
What are the key properties of 3-[3-(cyclopropylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one?
3-[3-(cyclopropylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one has a molecular weight of 335.15 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopropylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one is sourced from PubChem (CID 66308634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).