6-amino-5-[butyl(2-hydroxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione

C14H26N4O3 — CID 60648892

IUPAC6-amino-5-[butyl(2-hydroxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCCCCN(CCO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C14H26N4O3/c1-4-5-6-17(7-8-19)11-12(15)18(9-10(2)3)14(21)16-13(11)20/h10,19H,4-9,15H2,1-3H3,(H,16,20,21)
InChIKeyOKHHYALOGVIYPI-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.37
Rot. Bonds8

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

6-amino-5-[butyl(2-hydroxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 60648892) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-amino-5-[butyl(2-hydroxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[butyl(2-hydroxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID60648892
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name6-amino-5-[butyl(2-hydroxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCCCCN(CCO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C14H26N4O3/c1-4-5-6-17(7-8-19)11-12(15)18(9-10(2)3)14(21)16-13(11)20/h10,19H,4-9,15H2,1-3H3,(H,16,20,21)
InChIKeyOKHHYALOGVIYPI-UHFFFAOYSA-N
XLogP0.37
TPSA104.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]butanoic acid
CID 119955367
6-amino-5-[butyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 78834369
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-phenylacetamide
CID 4825571
(2E,4E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylhexa-2,4-dienamide
CID 38019279
6-amino-5-[butyl-[(2-chloro-6-fluorophenyl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 55503793
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azocan-1-ium-1-yl)-N-butylacetamide
CID 8583532
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 55504703
6-amino-5-[butyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 55536136
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 42029296
1-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-butyl-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 9094118
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[cyclohexyl(methyl)amino]acetamide
CID 4818322
6-amino-1-butyl-5-[3-hydroxypropyl(propan-2-yl)amino]pyrimidine-2,4-dione
CID 61146393

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[butyl(2-hydroxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[butyl(2-hydroxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 60648892) is 6-amino-5-[butyl(2-hydroxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[butyl(2-hydroxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[butyl(2-hydroxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is CCCCN(CCO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[butyl(2-hydroxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is OKHHYALOGVIYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-4-5-6-17(7-8-19)11-12(15)18(9-10(2)3)14(21)16-13(11)20/h10,19H,4-9,15H2,1-3H3,(H,16,20,21).
What are the key properties of 6-amino-5-[butyl(2-hydroxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[butyl(2-hydroxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 298.39 g/mol, XLogP of 0.37, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[butyl(2-hydroxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 60648892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).