2,4-dioxo-N-[2-(propan-2-ylamino)ethyl]-1H-pyrimidine-6-carboxamide

C10H16N4O3 — CID 62659763

IUPAC2,4-dioxo-N-[2-(propan-2-ylamino)ethyl]-1H-pyrimidine-6-carboxamide
SMILESCC(C)NCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H16N4O3/c1-6(2)11-3-4-12-9(16)7-5-8(15)14-10(17)13-7/h5-6,11H,3-4H2,1-2H3,(H,12,16)(H2,13,14,15,17)
InChIKeyOBISEAZRGLBJPQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP-1.21
Rot. Bonds5

About 2,4-dioxo-N-[2-(propan-2-ylamino)ethyl]-1H-pyrimidine-6-carboxamide

2,4-dioxo-N-[2-(propan-2-ylamino)ethyl]-1H-pyrimidine-6-carboxamide (PubChem CID 62659763) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2,4-dioxo-N-[2-(propan-2-ylamino)ethyl]-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-[2-(propan-2-ylamino)ethyl]-1H-pyrimidine-6-carboxamide
PubChem CID62659763
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2,4-dioxo-N-[2-(propan-2-ylamino)ethyl]-1H-pyrimidine-6-carboxamide
SMILESCC(C)NCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H16N4O3/c1-6(2)11-3-4-12-9(16)7-5-8(15)14-10(17)13-7/h5-6,11H,3-4H2,1-2H3,(H,12,16)(H2,13,14,15,17)
InChIKeyOBISEAZRGLBJPQ-UHFFFAOYSA-N
XLogP-1.21
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-[2-(propan-2-ylamino)ethyl]-1H-pyrimidine-6-carboxamide?
The IUPAC name of 2,4-dioxo-N-[2-(propan-2-ylamino)ethyl]-1H-pyrimidine-6-carboxamide (CID 62659763) is 2,4-dioxo-N-[2-(propan-2-ylamino)ethyl]-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-[2-(propan-2-ylamino)ethyl]-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 2,4-dioxo-N-[2-(propan-2-ylamino)ethyl]-1H-pyrimidine-6-carboxamide is CC(C)NCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2,4-dioxo-N-[2-(propan-2-ylamino)ethyl]-1H-pyrimidine-6-carboxamide?
The InChIKey is OBISEAZRGLBJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6(2)11-3-4-12-9(16)7-5-8(15)14-10(17)13-7/h5-6,11H,3-4H2,1-2H3,(H,12,16)(H2,13,14,15,17).
What are the key properties of 2,4-dioxo-N-[2-(propan-2-ylamino)ethyl]-1H-pyrimidine-6-carboxamide?
2,4-dioxo-N-[2-(propan-2-ylamino)ethyl]-1H-pyrimidine-6-carboxamide has a molecular weight of 240.26 g/mol, XLogP of -1.21, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-[2-(propan-2-ylamino)ethyl]-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 62659763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).