4-[3-(2-hydroxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one

C12H21N3O3 — CID 136730523

IUPAC4-[3-(2-hydroxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCCOCCO)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O3/c1-9(2)12-14-10(8-11(17)15-12)13-4-3-6-18-7-5-16/h8-9,16H,3-7H2,1-2H3,(H2,13,14,15,17)
InChIKeyHCVOGUFJJRXLGQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.70
Rot. Bonds8

About 4-[3-(2-hydroxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[3-(2-hydroxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136730523) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[3-(2-hydroxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(2-hydroxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136730523
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name4-[3-(2-hydroxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCCOCCO)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O3/c1-9(2)12-14-10(8-11(17)15-12)13-4-3-6-18-7-5-16/h8-9,16H,3-7H2,1-2H3,(H2,13,14,15,17)
InChIKeyHCVOGUFJJRXLGQ-UHFFFAOYSA-N
XLogP0.70
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,2-difluoro-3-hydroxypropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136849685
2-ethyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730522
4-[3-(2-hydroxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
CID 136730526
2-cyclopropyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730530
4-[3-(2-aminoethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136730544
2-ethyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764963
2-methyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764964
4-[3-(2-methylpropoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136764967
2-cyclopropyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764968
2-ethyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764972
4-[3-(2-methoxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
CID 136764973
4-[3-(2-methoxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136764976

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(2-hydroxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136730523) is 4-[3-(2-hydroxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(2-hydroxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(2-hydroxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCCCOCCO)cc(=O)[nH]1.
What is the InChIKey of 4-[3-(2-hydroxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is HCVOGUFJJRXLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-9(2)12-14-10(8-11(17)15-12)13-4-3-6-18-7-5-16/h8-9,16H,3-7H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 4-[3-(2-hydroxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[3-(2-hydroxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 255.32 g/mol, XLogP of 0.70, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136730523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).