6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione

C10H18N4O3 — CID 60649083

IUPAC6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCCCO)c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O3/c1-2-5-14-8(11)7(12-4-3-6-15)9(16)13-10(14)17/h12,15H,2-6,11H2,1H3,(H,13,16,17)
InChIKeySKSDXAJQTNVYLU-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.68
Rot. Bonds6

About 6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione

6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione (PubChem CID 60649083) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
PubChem CID60649083
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCCCO)c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O3/c1-2-5-14-8(11)7(12-4-3-6-15)9(16)13-10(14)17/h12,15H,2-6,11H2,1H3,(H,13,16,17)
InChIKeySKSDXAJQTNVYLU-UHFFFAOYSA-N
XLogP-0.68
TPSA113.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione
CID 107302596
6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione
CID 60964818
6-amino-5-[(4-hydroxy-2-methylbutyl)amino]-1-propylpyrimidine-2,4-dione
CID 66108166
2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide
CID 54933726
6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione
CID 60661605
5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide
CID 106238995
6-amino-5-[[(E)-pent-3-enyl]amino]-1-propylpyrimidine-2,4-dione
CID 115628510
6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione
CID 61360592
6-amino-5-[3-(cyclopropylmethoxy)propylamino]-1-propylpyrimidine-2,4-dione
CID 103603390
6-amino-5-hydrazinyl-1-propylpyrimidine-2,4-dione
CID 60920992
6-amino-1-butyl-5-(3-methoxypropylamino)pyrimidine-2,4-dione
CID 60649021
6-amino-5-(6-hydroxyhexylamino)-1-methylpyrimidine-2,4-dione
CID 103918166

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione (CID 60649083) is 6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCCCO)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione?
The InChIKey is SKSDXAJQTNVYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-2-5-14-8(11)7(12-4-3-6-15)9(16)13-10(14)17/h12,15H,2-6,11H2,1H3,(H,13,16,17).
What are the key properties of 6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione?
6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione has a molecular weight of 242.28 g/mol, XLogP of -0.68, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 60649083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).