1-[3-(cyclopropylamino)-2-hydroxypropyl]-5-methylpyrimidin-2-one

C11H17N3O2 — CID 63206381

IUPAC1-[3-(cyclopropylamino)-2-hydroxypropyl]-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CC(O)CNC2CC2)c1
InChIInChI=1S/C11H17N3O2/c1-8-4-13-11(16)14(6-8)7-10(15)5-12-9-2-3-9/h4,6,9-10,12,15H,2-3,5,7H2,1H3
InChIKeyWLQWIACBBDVBGW-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.34
Rot. Bonds5

About 1-[3-(cyclopropylamino)-2-hydroxypropyl]-5-methylpyrimidin-2-one

1-[3-(cyclopropylamino)-2-hydroxypropyl]-5-methylpyrimidin-2-one (PubChem CID 63206381) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)-2-hydroxypropyl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)-2-hydroxypropyl]-5-methylpyrimidin-2-one
PubChem CID63206381
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-[3-(cyclopropylamino)-2-hydroxypropyl]-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CC(O)CNC2CC2)c1
InChIInChI=1S/C11H17N3O2/c1-8-4-13-11(16)14(6-8)7-10(15)5-12-9-2-3-9/h4,6,9-10,12,15H,2-3,5,7H2,1H3
InChIKeyWLQWIACBBDVBGW-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 1-[3-(cyclopropylamino)-2-hydroxypropyl]-5-methylpyrimidin-2-one?
The IUPAC name of 1-[3-(cyclopropylamino)-2-hydroxypropyl]-5-methylpyrimidin-2-one (CID 63206381) is 1-[3-(cyclopropylamino)-2-hydroxypropyl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-[3-(cyclopropylamino)-2-hydroxypropyl]-5-methylpyrimidin-2-one?
The canonical SMILES for 1-[3-(cyclopropylamino)-2-hydroxypropyl]-5-methylpyrimidin-2-one is Cc1cnc(=O)n(CC(O)CNC2CC2)c1.
What is the InChIKey of 1-[3-(cyclopropylamino)-2-hydroxypropyl]-5-methylpyrimidin-2-one?
The InChIKey is WLQWIACBBDVBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-4-13-11(16)14(6-8)7-10(15)5-12-9-2-3-9/h4,6,9-10,12,15H,2-3,5,7H2,1H3.
What are the key properties of 1-[3-(cyclopropylamino)-2-hydroxypropyl]-5-methylpyrimidin-2-one?
1-[3-(cyclopropylamino)-2-hydroxypropyl]-5-methylpyrimidin-2-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 1-[3-(cyclopropylamino)-2-hydroxypropyl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 63206381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).