1-[3-(hydroxymethyl)pentyl]pyrimidine-2,4-dione

C10H16N2O3 — CID 153342115

IUPAC1-[3-(hydroxymethyl)pentyl]pyrimidine-2,4-dione
SMILESCCC(CO)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O3/c1-2-8(7-13)3-5-12-6-4-9(14)11-10(12)15/h4,6,8,13H,2-3,5,7H2,1H3,(H,11,14,15)
InChIKeyPNSCMRBCDZZWOE-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.05
Rot. Bonds5

About 1-[3-(hydroxymethyl)pentyl]pyrimidine-2,4-dione

1-[3-(hydroxymethyl)pentyl]pyrimidine-2,4-dione (PubChem CID 153342115) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)pentyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)pentyl]pyrimidine-2,4-dione
PubChem CID153342115
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-[3-(hydroxymethyl)pentyl]pyrimidine-2,4-dione
SMILESCCC(CO)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O3/c1-2-8(7-13)3-5-12-6-4-9(14)11-10(12)15/h4,6,8,13H,2-3,5,7H2,1H3,(H,11,14,15)
InChIKeyPNSCMRBCDZZWOE-UHFFFAOYSA-N
XLogP-0.05
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)pentyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-(hydroxymethyl)pentyl]pyrimidine-2,4-dione (CID 153342115) is 1-[3-(hydroxymethyl)pentyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-(hydroxymethyl)pentyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-(hydroxymethyl)pentyl]pyrimidine-2,4-dione is CCC(CO)CCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[3-(hydroxymethyl)pentyl]pyrimidine-2,4-dione?
The InChIKey is PNSCMRBCDZZWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-8(7-13)3-5-12-6-4-9(14)11-10(12)15/h4,6,8,13H,2-3,5,7H2,1H3,(H,11,14,15).
What are the key properties of 1-[3-(hydroxymethyl)pentyl]pyrimidine-2,4-dione?
1-[3-(hydroxymethyl)pentyl]pyrimidine-2,4-dione has a molecular weight of 212.25 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)pentyl]pyrimidine-2,4-dione is sourced from PubChem (CID 153342115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).