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

C14H24N4O3 — CID 60648993

IUPAC6-amino-1-butyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N2CCCCC2CO)c(=O)[nH]c1=O
InChIInChI=1S/C14H24N4O3/c1-2-3-7-18-12(15)11(13(20)16-14(18)21)17-8-5-4-6-10(17)9-19/h10,19H,2-9,15H2,1H3,(H,16,20,21)
InChIKeySQQDIBRVZTWETD-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.27
Rot. Bonds5

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

6-amino-1-butyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione (PubChem CID 60648993) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione
PubChem CID60648993
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name6-amino-1-butyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N2CCCCC2CO)c(=O)[nH]c1=O
InChIInChI=1S/C14H24N4O3/c1-2-3-7-18-12(15)11(13(20)16-14(18)21)17-8-5-4-6-10(17)9-19/h10,19H,2-9,15H2,1H3,(H,16,20,21)
InChIKeySQQDIBRVZTWETD-UHFFFAOYSA-N
XLogP0.27
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 ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione (CID 60648993) is 6-amino-1-butyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione is CCCCn1c(N)c(N2CCCCC2CO)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione?
The InChIKey is SQQDIBRVZTWETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-2-3-7-18-12(15)11(13(20)16-14(18)21)17-8-5-4-6-10(17)9-19/h10,19H,2-9,15H2,1H3,(H,16,20,21).
What are the key properties of 6-amino-1-butyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione has a molecular weight of 296.37 g/mol, XLogP of 0.27, 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-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 60648993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).