1-(3-hydroxypropyl)-3-[6-[3-(3-hydroxypropyl)-4-methyl-2,6-dioxopyrimidin-1-yl]hexyl]-6-methylpyrimidine-2,4-dione

C22H34N4O6 — CID 15152537

IUPAC1-(3-hydroxypropyl)-3-[6-[3-(3-hydroxypropyl)-4-methyl-2,6-dioxopyrimidin-1-yl]hexyl]-6-methylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(CCCCCCn2c(=O)cc(C)n(CCCO)c2=O)c(=O)n1CCCO
InChIInChI=1S/C22H34N4O6/c1-17-15-19(29)25(21(31)23(17)11-7-13-27)9-5-3-4-6-10-26-20(30)16-18(2)24(22(26)32)12-8-14-28/h15-16,27-28H,3-14H2,1-2H3
InChIKeyFCBQMPZVDUVVNJ-UHFFFAOYSA-N
MW450.54 g/mol
LogP-0.02
Rot. Bonds13

About 1-(3-hydroxypropyl)-3-[6-[3-(3-hydroxypropyl)-4-methyl-2,6-dioxopyrimidin-1-yl]hexyl]-6-methylpyrimidine-2,4-dione

1-(3-hydroxypropyl)-3-[6-[3-(3-hydroxypropyl)-4-methyl-2,6-dioxopyrimidin-1-yl]hexyl]-6-methylpyrimidine-2,4-dione (PubChem CID 15152537) has the molecular formula C22H34N4O6 and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-[6-[3-(3-hydroxypropyl)-4-methyl-2,6-dioxopyrimidin-1-yl]hexyl]-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-[6-[3-(3-hydroxypropyl)-4-methyl-2,6-dioxopyrimidin-1-yl]hexyl]-6-methylpyrimidine-2,4-dione
PubChem CID15152537
Molecular FormulaC22H34N4O6
Molecular Weight450.54 g/mol
Exact Mass450.25
IUPAC Name1-(3-hydroxypropyl)-3-[6-[3-(3-hydroxypropyl)-4-methyl-2,6-dioxopyrimidin-1-yl]hexyl]-6-methylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(CCCCCCn2c(=O)cc(C)n(CCCO)c2=O)c(=O)n1CCCO
InChIInChI=1S/C22H34N4O6/c1-17-15-19(29)25(21(31)23(17)11-7-13-27)9-5-3-4-6-10-26-20(30)16-18(2)24(22(26)32)12-8-14-28/h15-16,27-28H,3-14H2,1-2H3
InChIKeyFCBQMPZVDUVVNJ-UHFFFAOYSA-N
XLogP-0.02
TPSA128.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione
CID 2783724
1,3-bis[5-(ethylamino)pentyl]-6-methylpyrimidine-2,4-dione
CID 71368512
1-[5-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)pentyl]-3,6-dimethylpyrimidine-2,4-dione
CID 15503118
methyl 4-[3-(4-methoxy-4-oxobutyl)-6-methyl-2,4-dioxopyrimidin-1-yl]butanoate
CID 21312564
1-(8-bromooctyl)-3,6-dimethylpyrimidine-2,4-dione
CID 2063415
1,3-bis(3-dimethoxyphosphorylpropyl)-6-methylpyrimidine-2,4-dione
CID 3076161
1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 3148839
1,3-bis(3-hydroxypropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 12062943
6-chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one
CID 114581824
6-chloro-2-ethyl-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706084
1-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione
CID 143274636
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(5-hydroxypentyl)acetamide
CID 108795002

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-[6-[3-(3-hydroxypropyl)-4-methyl-2,6-dioxopyrimidin-1-yl]hexyl]-6-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(3-hydroxypropyl)-3-[6-[3-(3-hydroxypropyl)-4-methyl-2,6-dioxopyrimidin-1-yl]hexyl]-6-methylpyrimidine-2,4-dione (CID 15152537) is 1-(3-hydroxypropyl)-3-[6-[3-(3-hydroxypropyl)-4-methyl-2,6-dioxopyrimidin-1-yl]hexyl]-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-[6-[3-(3-hydroxypropyl)-4-methyl-2,6-dioxopyrimidin-1-yl]hexyl]-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(3-hydroxypropyl)-3-[6-[3-(3-hydroxypropyl)-4-methyl-2,6-dioxopyrimidin-1-yl]hexyl]-6-methylpyrimidine-2,4-dione is Cc1cc(=O)n(CCCCCCn2c(=O)cc(C)n(CCCO)c2=O)c(=O)n1CCCO.
What is the InChIKey of 1-(3-hydroxypropyl)-3-[6-[3-(3-hydroxypropyl)-4-methyl-2,6-dioxopyrimidin-1-yl]hexyl]-6-methylpyrimidine-2,4-dione?
The InChIKey is FCBQMPZVDUVVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O6/c1-17-15-19(29)25(21(31)23(17)11-7-13-27)9-5-3-4-6-10-26-20(30)16-18(2)24(22(26)32)12-8-14-28/h15-16,27-28H,3-14H2,1-2H3.
What are the key properties of 1-(3-hydroxypropyl)-3-[6-[3-(3-hydroxypropyl)-4-methyl-2,6-dioxopyrimidin-1-yl]hexyl]-6-methylpyrimidine-2,4-dione?
1-(3-hydroxypropyl)-3-[6-[3-(3-hydroxypropyl)-4-methyl-2,6-dioxopyrimidin-1-yl]hexyl]-6-methylpyrimidine-2,4-dione has a molecular weight of 450.54 g/mol, XLogP of -0.02, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-[6-[3-(3-hydroxypropyl)-4-methyl-2,6-dioxopyrimidin-1-yl]hexyl]-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 15152537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).