6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione

C14H26N4O3 — CID 106158491

IUPAC6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NCCCC(C)CO)c(=O)[nH]c1=O
InChIInChI=1S/C14H26N4O3/c1-9(2)7-18-12(15)11(13(20)17-14(18)21)16-6-4-5-10(3)8-19/h9-10,16,19H,4-8,15H2,1-3H3,(H,17,20,21)
InChIKeySFQOHPRNRNRLPS-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.60
Rot. Bonds8

About 6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 106158491) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID106158491
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NCCCC(C)CO)c(=O)[nH]c1=O
InChIInChI=1S/C14H26N4O3/c1-9(2)7-18-12(15)11(13(20)17-14(18)21)16-6-4-5-10(3)8-19/h9-10,16,19H,4-8,15H2,1-3H3,(H,17,20,21)
InChIKeySFQOHPRNRNRLPS-UHFFFAOYSA-N
XLogP0.60
TPSA113.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.60
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-5-[(3-hydroxy-4-methoxybutyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 106245801
6-amino-5-(3,3-dimethylbutan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 104828680
6-amino-1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
CID 54933303
6-amino-5-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 61043333
6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione
CID 61360592
6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione
CID 107302596
6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 60649083
6-amino-1-(2-methylpropyl)-5-(pentan-3-ylamino)pyrimidine-2,4-dione
CID 60649265
6-amino-5-[(4-hydroxy-2-methylbutyl)amino]-1-propylpyrimidine-2,4-dione
CID 66108166
6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 106158493
6-amino-1-methyl-5-(7-methyloctylamino)pyrimidine-2,4-dione
CID 107816326
6-amino-1-(2-methylpropyl)-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrimidine-2,4-dione
CID 106382190

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 106158491) is 6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(NCCCC(C)CO)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is SFQOHPRNRNRLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-9(2)7-18-12(15)11(13(20)17-14(18)21)16-6-4-5-10(3)8-19/h9-10,16,19H,4-8,15H2,1-3H3,(H,17,20,21).
What are the key properties of 6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 298.39 g/mol, XLogP of 0.60, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 106158491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).