6-amino-1-butyl-5-[3-hydroxypropyl(methyl)amino]pyrimidine-2,4-dione

C12H22N4O3 — CID 47150405

IUPAC6-amino-1-butyl-5-[3-hydroxypropyl(methyl)amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(C)CCCO)c(=O)[nH]c1=O
InChIInChI=1S/C12H22N4O3/c1-3-4-7-16-10(13)9(11(18)14-12(16)19)15(2)6-5-8-17/h17H,3-8,13H2,1-2H3,(H,14,18,19)
InChIKeyQUKHKJYHQCMKFF-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.26
Rot. Bonds7

About 6-amino-1-butyl-5-[3-hydroxypropyl(methyl)amino]pyrimidine-2,4-dione

6-amino-1-butyl-5-[3-hydroxypropyl(methyl)amino]pyrimidine-2,4-dione (PubChem CID 47150405) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[3-hydroxypropyl(methyl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[3-hydroxypropyl(methyl)amino]pyrimidine-2,4-dione
PubChem CID47150405
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name6-amino-1-butyl-5-[3-hydroxypropyl(methyl)amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(C)CCCO)c(=O)[nH]c1=O
InChIInChI=1S/C12H22N4O3/c1-3-4-7-16-10(13)9(11(18)14-12(16)19)15(2)6-5-8-17/h17H,3-8,13H2,1-2H3,(H,14,18,19)
InChIKeyQUKHKJYHQCMKFF-UHFFFAOYSA-N
XLogP-0.26
TPSA104.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-1-ethyl-5-[4-hydroxybutyl(methyl)amino]pyrimidine-2,4-dione
CID 110931812
6-amino-1-butyl-5-[3-hydroxypropyl(propan-2-yl)amino]pyrimidine-2,4-dione
CID 61146393
6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione
CID 47281812
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
CID 31491993
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(tert-butylcarbamoyl)acetamide
CID 55474865
6-amino-1-butyl-5-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidine-2,4-dione
CID 78834956
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(methylamino)acetamide
CID 18087322
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)propanamide
CID 26200665
6-amino-1-butyl-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]pyrimidine-2,4-dione
CID 78833876
6-amino-1-butyl-5-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]pyrimidine-2,4-dione
CID 110009359
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylcyclobutanecarboxamide
CID 8839038
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-fluoro-N-methylanilino)acetamide
CID 55839982

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[3-hydroxypropyl(methyl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[3-hydroxypropyl(methyl)amino]pyrimidine-2,4-dione (CID 47150405) is 6-amino-1-butyl-5-[3-hydroxypropyl(methyl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[3-hydroxypropyl(methyl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[3-hydroxypropyl(methyl)amino]pyrimidine-2,4-dione is CCCCn1c(N)c(N(C)CCCO)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[3-hydroxypropyl(methyl)amino]pyrimidine-2,4-dione?
The InChIKey is QUKHKJYHQCMKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-3-4-7-16-10(13)9(11(18)14-12(16)19)15(2)6-5-8-17/h17H,3-8,13H2,1-2H3,(H,14,18,19).
What are the key properties of 6-amino-1-butyl-5-[3-hydroxypropyl(methyl)amino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[3-hydroxypropyl(methyl)amino]pyrimidine-2,4-dione has a molecular weight of 270.33 g/mol, XLogP of -0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[3-hydroxypropyl(methyl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 47150405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).