3-[3-(cyclopropylamino)-2-hydroxypropyl]pyrimidin-4-one

C10H15N3O2 — CID 63768321

IUPAC3-[3-(cyclopropylamino)-2-hydroxypropyl]pyrimidin-4-one
SMILESO=c1ccncn1CC(O)CNC1CC1
InChIInChI=1S/C10H15N3O2/c14-9(5-12-8-1-2-8)6-13-7-11-4-3-10(13)15/h3-4,7-9,12,14H,1-2,5-6H2
InChIKeyOMIZMECQRTWANQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.64
Rot. Bonds5

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

3-[3-(cyclopropylamino)-2-hydroxypropyl]pyrimidin-4-one (PubChem CID 63768321) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[3-(cyclopropylamino)-2-hydroxypropyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(cyclopropylamino)-2-hydroxypropyl]pyrimidin-4-one
PubChem CID63768321
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-[3-(cyclopropylamino)-2-hydroxypropyl]pyrimidin-4-one
SMILESO=c1ccncn1CC(O)CNC1CC1
InChIInChI=1S/C10H15N3O2/c14-9(5-12-8-1-2-8)6-13-7-11-4-3-10(13)15/h3-4,7-9,12,14H,1-2,5-6H2
InChIKeyOMIZMECQRTWANQ-UHFFFAOYSA-N
XLogP-0.64
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylamino)-2-hydroxypropyl]pyrimidin-4-one?
The IUPAC name of 3-[3-(cyclopropylamino)-2-hydroxypropyl]pyrimidin-4-one (CID 63768321) is 3-[3-(cyclopropylamino)-2-hydroxypropyl]pyrimidin-4-one.
What is the SMILES notation for 3-[3-(cyclopropylamino)-2-hydroxypropyl]pyrimidin-4-one?
The canonical SMILES for 3-[3-(cyclopropylamino)-2-hydroxypropyl]pyrimidin-4-one is O=c1ccncn1CC(O)CNC1CC1.
What is the InChIKey of 3-[3-(cyclopropylamino)-2-hydroxypropyl]pyrimidin-4-one?
The InChIKey is OMIZMECQRTWANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-9(5-12-8-1-2-8)6-13-7-11-4-3-10(13)15/h3-4,7-9,12,14H,1-2,5-6H2.
What are the key properties of 3-[3-(cyclopropylamino)-2-hydroxypropyl]pyrimidin-4-one?
3-[3-(cyclopropylamino)-2-hydroxypropyl]pyrimidin-4-one has a molecular weight of 209.25 g/mol, XLogP of -0.64, 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]pyrimidin-4-one is sourced from PubChem (CID 63768321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).