6-amino-1-butyl-5-[3-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione

C14H24N4O3 — CID 60662302

IUPAC6-amino-1-butyl-5-[3-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N2CCCC(CO)C2)c(=O)[nH]c1=O
InChIInChI=1S/C14H24N4O3/c1-2-3-7-18-12(15)11(13(20)16-14(18)21)17-6-4-5-10(8-17)9-19/h10,19H,2-9,15H2,1H3,(H,16,20,21)
InChIKeySLYVMJXVTZUBTQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.13
Rot. Bonds5

About 6-amino-1-butyl-5-[3-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione

6-amino-1-butyl-5-[3-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione (PubChem CID 60662302) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[3-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[3-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione
PubChem CID60662302
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name6-amino-1-butyl-5-[3-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N2CCCC(CO)C2)c(=O)[nH]c1=O
InChIInChI=1S/C14H24N4O3/c1-2-3-7-18-12(15)11(13(20)16-14(18)21)17-6-4-5-10(8-17)9-19/h10,19H,2-9,15H2,1H3,(H,16,20,21)
InChIKeySLYVMJXVTZUBTQ-UHFFFAOYSA-N
XLogP0.13
TPSA104.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-amino-1-butyl-5-[3-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide
CID 18225012
1-[2-[3-(Hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 43422232
4-[3-(Hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 43589499
6-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 43589522
N-[4-amino-1-(5-hydroxypentyl)-2,6-dioxo-3-propylpyrimidin-5-yl]acetamide
CID 45118954
6-Amino-1-ethyl-5-(oxan-3-ylmethylamino)pyrimidine-2,4-dione
CID 54906131
6-Amino-1-methyl-5-(oxan-3-ylmethylamino)pyrimidine-2,4-dione
CID 54906132
6-Amino-5-[3-(2-hydroxyethyl)piperidin-1-yl]-1-methylpyrimidine-2,4-dione
CID 55064614
6-Amino-5-[2-(hydroxymethyl)piperidin-1-yl]-1-methylpyrimidine-2,4-dione
CID 60648899
6-Amino-1-ethyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione
CID 60648923
6-Amino-1-butyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione
CID 60648993
6-Amino-5-[2-(hydroxymethyl)piperidin-1-yl]-1-propylpyrimidine-2,4-dione
CID 60648994

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[3-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[3-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione (CID 60662302) is 6-amino-1-butyl-5-[3-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[3-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[3-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione is CCCCn1c(N)c(N2CCCC(CO)C2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[3-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione?
The InChIKey is SLYVMJXVTZUBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-2-3-7-18-12(15)11(13(20)16-14(18)21)17-6-4-5-10(8-17)9-19/h10,19H,2-9,15H2,1H3,(H,16,20,21).
What are the key properties of 6-amino-1-butyl-5-[3-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[3-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione has a molecular weight of 296.37 g/mol, XLogP of 0.13, 5 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-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 60662302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).