5-(4-hydroxybutylamino)-1H-pyrimidine-2,4-dione

C8H13N3O3 — CID 150376578

IUPAC5-(4-hydroxybutylamino)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(NCCCCO)c(=O)[nH]1
InChIInChI=1S/C8H13N3O3/c12-4-2-1-3-9-6-5-10-8(14)11-7(6)13/h5,9,12H,1-4H2,(H2,10,11,13,14)
InChIKeyGYVCJHSEFROPHK-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.75
Rot. Bonds5

About 5-(4-hydroxybutylamino)-1H-pyrimidine-2,4-dione

5-(4-hydroxybutylamino)-1H-pyrimidine-2,4-dione (PubChem CID 150376578) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-(4-hydroxybutylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-hydroxybutylamino)-1H-pyrimidine-2,4-dione
PubChem CID150376578
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name5-(4-hydroxybutylamino)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(NCCCCO)c(=O)[nH]1
InChIInChI=1S/C8H13N3O3/c12-4-2-1-3-9-6-5-10-8(14)11-7(6)13/h5,9,12H,1-4H2,(H2,10,11,13,14)
InChIKeyGYVCJHSEFROPHK-UHFFFAOYSA-N
XLogP-0.75
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[Bis(2-hydroxyethyl)amino]pyrimidine-2,4(1h,3h)-dione
CID 241440
5-[(2-hydroxypropyl)amino]pyrimidine-2,4(1H,3H)-dione
CID 16474434
1H-Pyrimidine-2,4-dione, 5-(2-hydroxy-1,1-dimethylethylamino)-
CID 1511303
5-((2-hydroxyethyl)amino)pyrimidine-2,4(1H,3H)-dione
CID 236131
N-(4-Hydroxybutyl)-2-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetamide
CID 379359
5-(butylamino)-2,4(1H,3H)-pyrimidinedione
CID 253663
5-(2-aminopropylamino)-6-(4-hydroxybutylamino)-1H-pyrimidine-2,4-dione
CID 145925558
5-(Azirin-1-yl)-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione
CID 67182045
5-(3-Hydroxypropylamino)-1,3-dimethylpyrimidine-2,4-dione
CID 175694676
5-[Ethyl(2-hydroxyethyl)amino]pyrimidine-2,4(1h,3h)-dione
CID 236128
5-[[(2S)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione
CID 7373410
5-[[(2R)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione
CID 7373413

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybutylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(4-hydroxybutylamino)-1H-pyrimidine-2,4-dione (CID 150376578) is 5-(4-hydroxybutylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-hydroxybutylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-hydroxybutylamino)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(NCCCCO)c(=O)[nH]1.
What is the InChIKey of 5-(4-hydroxybutylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is GYVCJHSEFROPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c12-4-2-1-3-9-6-5-10-8(14)11-7(6)13/h5,9,12H,1-4H2,(H2,10,11,13,14).
What are the key properties of 5-(4-hydroxybutylamino)-1H-pyrimidine-2,4-dione?
5-(4-hydroxybutylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 199.21 g/mol, XLogP of -0.75, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxybutylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 150376578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).