1-[3-(tert-butylamino)-2-hydroxypropyl]pyrimidin-2-one

C11H19N3O2 — CID 115475513

IUPAC1-[3-(tert-butylamino)-2-hydroxypropyl]pyrimidin-2-one
SMILESCC(C)(C)NCC(O)Cn1cccnc1=O
InChIInChI=1S/C11H19N3O2/c1-11(2,3)13-7-9(15)8-14-6-4-5-12-10(14)16/h4-6,9,13,15H,7-8H2,1-3H3
InChIKeyQBOTWFMVFVEEIA-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.01
Rot. Bonds4

About 1-[3-(tert-butylamino)-2-hydroxypropyl]pyrimidin-2-one

1-[3-(tert-butylamino)-2-hydroxypropyl]pyrimidin-2-one (PubChem CID 115475513) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[3-(tert-butylamino)-2-hydroxypropyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[3-(tert-butylamino)-2-hydroxypropyl]pyrimidin-2-one
PubChem CID115475513
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[3-(tert-butylamino)-2-hydroxypropyl]pyrimidin-2-one
SMILESCC(C)(C)NCC(O)Cn1cccnc1=O
InChIInChI=1S/C11H19N3O2/c1-11(2,3)13-7-9(15)8-14-6-4-5-12-10(14)16/h4-6,9,13,15H,7-8H2,1-3H3
InChIKeyQBOTWFMVFVEEIA-UHFFFAOYSA-N
XLogP-0.01
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Amino-2-hydroxypropyl)pyrimidin-2-one
CID 16784985
1-[(2R)-3-amino-2-hydroxypropyl]pyrimidin-2-one
CID 30077824
1-[3-(Cyclopropylamino)-2-hydroxypropyl]pyrimidin-2-one
CID 43165930
1-[2-Hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-2-one
CID 43165931
1-[2-Hydroxy-3-(propylamino)propyl]pyrimidin-2-one
CID 43165932
1-[3-(Ethylamino)-2-hydroxypropyl]pyrimidin-2-one
CID 43165933
1-[2-Hydroxy-3-(methylamino)propyl]pyrimidin-2-one
CID 43187947
N-(2-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428137
1-[3-(2-Methoxyethylamino)propyl]pyrimidin-2-one
CID 62562944
1-[2-Hydroxy-3-(methylamino)propyl]-5-methylpyrimidin-2-one
CID 63206380
1-[3-(Cyclopropylamino)-2-hydroxypropyl]-5-methylpyrimidin-2-one
CID 63206381
1-[3-(Ethylamino)-2-hydroxypropyl]-5-methylpyrimidin-2-one
CID 63206382

Frequently Asked Questions

What is the IUPAC name of 1-[3-(tert-butylamino)-2-hydroxypropyl]pyrimidin-2-one?
The IUPAC name of 1-[3-(tert-butylamino)-2-hydroxypropyl]pyrimidin-2-one (CID 115475513) is 1-[3-(tert-butylamino)-2-hydroxypropyl]pyrimidin-2-one.
What is the SMILES notation for 1-[3-(tert-butylamino)-2-hydroxypropyl]pyrimidin-2-one?
The canonical SMILES for 1-[3-(tert-butylamino)-2-hydroxypropyl]pyrimidin-2-one is CC(C)(C)NCC(O)Cn1cccnc1=O.
What is the InChIKey of 1-[3-(tert-butylamino)-2-hydroxypropyl]pyrimidin-2-one?
The InChIKey is QBOTWFMVFVEEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,3)13-7-9(15)8-14-6-4-5-12-10(14)16/h4-6,9,13,15H,7-8H2,1-3H3.
What are the key properties of 1-[3-(tert-butylamino)-2-hydroxypropyl]pyrimidin-2-one?
1-[3-(tert-butylamino)-2-hydroxypropyl]pyrimidin-2-one has a molecular weight of 225.29 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(tert-butylamino)-2-hydroxypropyl]pyrimidin-2-one is sourced from PubChem (CID 115475513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).