1-[5-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)pentyl]-3,6-dimethylpyrimidine-2,4-dione

C17H24N4O4 — CID 15503118

IUPAC1-[5-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)pentyl]-3,6-dimethylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(C)c(=O)n1CCCCCn1c(C)cc(=O)n(C)c1=O
InChIInChI=1S/C17H24N4O4/c1-12-10-14(22)18(3)16(24)20(12)8-6-5-7-9-21-13(2)11-15(23)19(4)17(21)25/h10-11H,5-9H2,1-4H3
InChIKeyMZTPIIUKTHHDHI-UHFFFAOYSA-N
MW348.40 g/mol
LogP-0.11
Rot. Bonds6

About 1-[5-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)pentyl]-3,6-dimethylpyrimidine-2,4-dione

1-[5-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)pentyl]-3,6-dimethylpyrimidine-2,4-dione (PubChem CID 15503118) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[5-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)pentyl]-3,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[5-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)pentyl]-3,6-dimethylpyrimidine-2,4-dione
PubChem CID15503118
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name1-[5-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)pentyl]-3,6-dimethylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(C)c(=O)n1CCCCCn1c(C)cc(=O)n(C)c1=O
InChIInChI=1S/C17H24N4O4/c1-12-10-14(22)18(3)16(24)20(12)8-6-5-7-9-21-13(2)11-15(23)19(4)17(21)25/h10-11H,5-9H2,1-4H3
InChIKeyMZTPIIUKTHHDHI-UHFFFAOYSA-N
XLogP-0.11
TPSA88.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(8-bromooctyl)-3,6-dimethylpyrimidine-2,4-dione
CID 2063415
3,6-dimethyl-1-propylpyrimidine-2,4-dione
CID 91622846
1-(3-hydroxypropyl)-3-[6-[3-(3-hydroxypropyl)-4-methyl-2,6-dioxopyrimidin-1-yl]hexyl]-6-methylpyrimidine-2,4-dione
CID 15152537
3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione;oxalic acid
CID 90486333
1,3-bis[5-(ethylamino)pentyl]-6-methylpyrimidine-2,4-dione
CID 71368512
1-[4-[2-[(E)-hydroxyiminomethyl]imidazol-1-yl]butyl]-3,6-dimethylpyrimidine-2,4-dione
CID 155545245
3,6-dimethyl-1-[3-(3-nitrophenoxy)propyl]pyrimidine-2,4-dione
CID 3644908
methyl 4-[3-(4-methoxy-4-oxobutyl)-6-methyl-2,4-dioxopyrimidin-1-yl]butanoate
CID 21312564
1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione
CID 2783724
1,3-bis(3-dimethoxyphosphorylpropyl)-6-methylpyrimidine-2,4-dione
CID 3076161
6-chloro-1-ethyl-3-methylpyrimidine-2,4-dione
CID 816934
1,3-dihexyl-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 140791594

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)pentyl]-3,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 1-[5-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)pentyl]-3,6-dimethylpyrimidine-2,4-dione (CID 15503118) is 1-[5-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)pentyl]-3,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[5-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)pentyl]-3,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[5-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)pentyl]-3,6-dimethylpyrimidine-2,4-dione is Cc1cc(=O)n(C)c(=O)n1CCCCCn1c(C)cc(=O)n(C)c1=O.
What is the InChIKey of 1-[5-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)pentyl]-3,6-dimethylpyrimidine-2,4-dione?
The InChIKey is MZTPIIUKTHHDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-12-10-14(22)18(3)16(24)20(12)8-6-5-7-9-21-13(2)11-15(23)19(4)17(21)25/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-[5-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)pentyl]-3,6-dimethylpyrimidine-2,4-dione?
1-[5-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)pentyl]-3,6-dimethylpyrimidine-2,4-dione has a molecular weight of 348.40 g/mol, XLogP of -0.11, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)pentyl]-3,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 15503118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).