5-methyl-1-[4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione

C18H30N4O3 — CID 66737927

IUPAC5-methyl-1-[4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
SMILESCc1cn(CCCCN2CCN(CC3CCCO3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H30N4O3/c1-15-13-22(18(24)19-17(15)23)7-3-2-6-20-8-10-21(11-9-20)14-16-5-4-12-25-16/h13,16H,2-12,14H2,1H3,(H,19,23,24)
InChIKeyNZAQJESNEYOOLR-UHFFFAOYSA-N
MW350.46 g/mol
LogP0.42
Rot. Bonds7

About 5-methyl-1-[4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione

5-methyl-1-[4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione (PubChem CID 66737927) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 5-methyl-1-[4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
PubChem CID66737927
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name5-methyl-1-[4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
SMILESCc1cn(CCCCN2CCN(CC3CCCO3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H30N4O3/c1-15-13-22(18(24)19-17(15)23)7-3-2-6-20-8-10-21(11-9-20)14-16-5-4-12-25-16/h13,16H,2-12,14H2,1H3,(H,19,23,24)
InChIKeyNZAQJESNEYOOLR-UHFFFAOYSA-N
XLogP0.42
TPSA70.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 45280816
5-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 16260890
5-Methyl-1-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
CID 66737977
5-Methyl-1-(5-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl)pyrimidine-2,4-dione
CID 69828978
5-[4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentyl]-1H-pyrimidine-2,4-dione
CID 117676473
trimethyl-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]azanium
CID 124099694
1-(6-Ethyl-4-methylmorpholin-2-yl)-5-methylpyrimidine-2,4-dione
CID 167063062
1-[(2R,6R)-4-tert-butyl-6-(2,2-dimethylpropyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 170680088
tert-butyl 4-[[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]piperazine-1-carboxylate
CID 176379495
1-[4-Tert-butyl-6-(2,2-dimethylpropyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 177071020
5'-Piperazinylacetyl zidovudine
CID 406166
5-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 8105653

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione (CID 66737927) is 5-methyl-1-[4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione is Cc1cn(CCCCN2CCN(CC3CCCO3)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione?
The InChIKey is NZAQJESNEYOOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-15-13-22(18(24)19-17(15)23)7-3-2-6-20-8-10-21(11-9-20)14-16-5-4-12-25-16/h13,16H,2-12,14H2,1H3,(H,19,23,24).
What are the key properties of 5-methyl-1-[4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione?
5-methyl-1-[4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione has a molecular weight of 350.46 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66737927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).