2,4-dioxo-N-pentylpyrimidine-1-carboxamide

C10H15N3O3 — CID 71655045

IUPAC2,4-dioxo-N-pentylpyrimidine-1-carboxamide
SMILESCCCCCNC(=O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-2-3-4-6-11-9(15)13-7-5-8(14)12-10(13)16/h5,7H,2-4,6H2,1H3,(H,11,15)(H,12,14,16)
InChIKeyGNPSKUBDWAAFCZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.28
Rot. Bonds4

About 2,4-dioxo-N-pentylpyrimidine-1-carboxamide

2,4-dioxo-N-pentylpyrimidine-1-carboxamide (PubChem CID 71655045) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2,4-dioxo-N-pentylpyrimidine-1-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-pentylpyrimidine-1-carboxamide
PubChem CID71655045
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2,4-dioxo-N-pentylpyrimidine-1-carboxamide
SMILESCCCCCNC(=O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-2-3-4-6-11-9(15)13-7-5-8(14)12-10(13)16/h5,7H,2-4,6H2,1H3,(H,11,15)(H,12,14,16)
InChIKeyGNPSKUBDWAAFCZ-UHFFFAOYSA-N
XLogP0.28
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Uracil
CID 1174
Carmofur
CID 2577
3-Methyluracil
CID 79066
1-Methyluracil
CID 12009
6-n-Octylaminouracil
CID 10354234
1(2H)-Pyrimidinecarboxamide, 5-fluoro-3,4-dihydro-N-octyl-2,4-dioxo-
CID 116543
1-Ethyluracil
CID 4183135
6-Hexylamino-1H-pyrimidine-2,4-dione
CID 44349321
6-Amino-1-propyluracil
CID 104562
6-(Decylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 44349289
6-(heptylamino)-1H-pyrimidine-2,4-dione
CID 146025740
6-Cyclohexylamino-1,3-dimethyl-1H-pyrimidine-2,4-dione
CID 777234

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-pentylpyrimidine-1-carboxamide?
The IUPAC name of 2,4-dioxo-N-pentylpyrimidine-1-carboxamide (CID 71655045) is 2,4-dioxo-N-pentylpyrimidine-1-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-pentylpyrimidine-1-carboxamide?
The canonical SMILES for 2,4-dioxo-N-pentylpyrimidine-1-carboxamide is CCCCCNC(=O)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-N-pentylpyrimidine-1-carboxamide?
The InChIKey is GNPSKUBDWAAFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-3-4-6-11-9(15)13-7-5-8(14)12-10(13)16/h5,7H,2-4,6H2,1H3,(H,11,15)(H,12,14,16).
What are the key properties of 2,4-dioxo-N-pentylpyrimidine-1-carboxamide?
2,4-dioxo-N-pentylpyrimidine-1-carboxamide has a molecular weight of 225.25 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-pentylpyrimidine-1-carboxamide is sourced from PubChem (CID 71655045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).