1,3-dipentyl-5H-pyrimido[5,4-d]pyrimidine-2,4,6,8-tetrone

C16H24N4O4 — CID 25101097

IUPAC1,3-dipentyl-5H-pyrimido[5,4-d]pyrimidine-2,4,6,8-tetrone
SMILESCCCCCn1c(=O)c2[nH]c(=O)[nH]c(=O)c2n(CCCCC)c1=O
InChIInChI=1S/C16H24N4O4/c1-3-5-7-9-19-12-11(17-15(23)18-13(12)21)14(22)20(16(19)24)10-8-6-4-2/h3-10H2,1-2H3,(H2,17,18,21,23)
InChIKeyVTCCONDMVRFSIG-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.92
Rot. Bonds8

About 1,3-dipentyl-5H-pyrimido[5,4-d]pyrimidine-2,4,6,8-tetrone

1,3-dipentyl-5H-pyrimido[5,4-d]pyrimidine-2,4,6,8-tetrone (PubChem CID 25101097) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1,3-dipentyl-5H-pyrimido[5,4-d]pyrimidine-2,4,6,8-tetrone.

Molecular Properties

Compound Name1,3-dipentyl-5H-pyrimido[5,4-d]pyrimidine-2,4,6,8-tetrone
PubChem CID25101097
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name1,3-dipentyl-5H-pyrimido[5,4-d]pyrimidine-2,4,6,8-tetrone
SMILESCCCCCn1c(=O)c2[nH]c(=O)[nH]c(=O)c2n(CCCCC)c1=O
InChIInChI=1S/C16H24N4O4/c1-3-5-7-9-19-12-11(17-15(23)18-13(12)21)14(22)20(16(19)24)10-8-6-4-2/h3-10H2,1-2H3,(H2,17,18,21,23)
InChIKeyVTCCONDMVRFSIG-UHFFFAOYSA-N
XLogP0.92
TPSA109.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(5,5-difluoropentyl)-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-5H-pyrimido[5,4-d]pyrimidine-2,4,6,8-tetrone
CID 25099862
1,3-dibutyl-8-iodo-7H-purine-2,6-dione
CID 11406633
1,3-dibutyl-8-(3-oxobutyl)-7H-purine-2,6-dione
CID 157241521
methane;molecular iodine;1,3,5-triheptyl-1,3,5-triazinane-2,4,6-trione
CID 161402210
1,3-dihexyl-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 140791594
5-(8-chloro-2,6-dioxo-3-pentyl-7H-purin-1-yl)pentanenitrile
CID 59395706
1-ethyl-3,5-diheptyl-1,3,5-triazinane-2,4,6-trione;methane
CID 160918747
2,2,2-trifluoro-N-[3-(8-methyl-2,6-dioxo-3-pentyl-7H-purin-1-yl)propyl]acetamide
CID 89048476
1-hexyl-1,3,5-triazinane-2,4,6-trione;isocyanic acid
CID 172765496
5,6-diethyl-1,3-dihexylpyrimidine-2,4-dione
CID 101407013
2-(8-chloro-2,6-dioxo-3-pentyl-7H-purin-1-yl)ethylcarbamic acid
CID 68516999
3-butyl-8-chloro-1-(4-nitrosobutyl)-7H-purine-2,6-dione
CID 143405412

Frequently Asked Questions

What is the IUPAC name of 1,3-dipentyl-5H-pyrimido[5,4-d]pyrimidine-2,4,6,8-tetrone?
The IUPAC name of 1,3-dipentyl-5H-pyrimido[5,4-d]pyrimidine-2,4,6,8-tetrone (CID 25101097) is 1,3-dipentyl-5H-pyrimido[5,4-d]pyrimidine-2,4,6,8-tetrone.
What is the SMILES notation for 1,3-dipentyl-5H-pyrimido[5,4-d]pyrimidine-2,4,6,8-tetrone?
The canonical SMILES for 1,3-dipentyl-5H-pyrimido[5,4-d]pyrimidine-2,4,6,8-tetrone is CCCCCn1c(=O)c2[nH]c(=O)[nH]c(=O)c2n(CCCCC)c1=O.
What is the InChIKey of 1,3-dipentyl-5H-pyrimido[5,4-d]pyrimidine-2,4,6,8-tetrone?
The InChIKey is VTCCONDMVRFSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-3-5-7-9-19-12-11(17-15(23)18-13(12)21)14(22)20(16(19)24)10-8-6-4-2/h3-10H2,1-2H3,(H2,17,18,21,23).
What are the key properties of 1,3-dipentyl-5H-pyrimido[5,4-d]pyrimidine-2,4,6,8-tetrone?
1,3-dipentyl-5H-pyrimido[5,4-d]pyrimidine-2,4,6,8-tetrone has a molecular weight of 336.39 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipentyl-5H-pyrimido[5,4-d]pyrimidine-2,4,6,8-tetrone is sourced from PubChem (CID 25101097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).