3-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one

C11H17N3O2 — CID 61224565

IUPAC3-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(O)CNC2CC2)cn1
InChIInChI=1S/C11H17N3O2/c1-8-4-11(16)14(7-13-8)6-10(15)5-12-9-2-3-9/h4,7,9-10,12,15H,2-3,5-6H2,1H3
InChIKeyBXBWLOHXNVETBF-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.34
Rot. Bonds5

About 3-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one

3-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one (PubChem CID 61224565) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one
PubChem CID61224565
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(O)CNC2CC2)cn1
InChIInChI=1S/C11H17N3O2/c1-8-4-11(16)14(7-13-8)6-10(15)5-12-9-2-3-9/h4,7,9-10,12,15H,2-3,5-6H2,1H3
InChIKeyBXBWLOHXNVETBF-UHFFFAOYSA-N
XLogP-0.34
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.34
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]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one (CID 61224565) is 3-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one is Cc1cc(=O)n(CC(O)CNC2CC2)cn1.
What is the InChIKey of 3-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one?
The InChIKey is BXBWLOHXNVETBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-4-11(16)14(7-13-8)6-10(15)5-12-9-2-3-9/h4,7,9-10,12,15H,2-3,5-6H2,1H3.
What are the key properties of 3-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one?
3-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one has a molecular weight of 223.28 g/mol, XLogP of -0.34, 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]-6-methylpyrimidin-4-one is sourced from PubChem (CID 61224565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).