1-tert-butyl-3-methyl-2,6-dioxopyrimidine-4-carboxamide

C10H15N3O3 — CID 177129727

IUPAC1-tert-butyl-3-methyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCn1c(C(N)=O)cc(=O)n(C(C)(C)C)c1=O
InChIInChI=1S/C10H15N3O3/c1-10(2,3)13-7(14)5-6(8(11)15)12(4)9(13)16/h5H,1-4H3,(H2,11,15)
InChIKeyYUQXBVGKUUTMDJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.60
Rot. Bonds1

About 1-tert-butyl-3-methyl-2,6-dioxopyrimidine-4-carboxamide

1-tert-butyl-3-methyl-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 177129727) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-3-methyl-2,6-dioxopyrimidine-4-carboxamide
PubChem CID177129727
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1-tert-butyl-3-methyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCn1c(C(N)=O)cc(=O)n(C(C)(C)C)c1=O
InChIInChI=1S/C10H15N3O3/c1-10(2,3)13-7(14)5-6(8(11)15)12(4)9(13)16/h5H,1-4H3,(H2,11,15)
InChIKeyYUQXBVGKUUTMDJ-UHFFFAOYSA-N
XLogP-0.60
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-3-methyl-2,6-dioxopyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Isopropyl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 2227167
N-tert-butyl-2-(3-butyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 137640026
N,N-Dimethylorotsaureamid
CID 60637058
4-Pyrimidinecarboxamide, 1,2,3,6-tetrahydro-3-methyl-2,6-dioxo-
CID 12490680
5-Amino-1,6-dimethyl-3-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
CID 13433981
N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide
CID 14148177
n-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 236624
5-(Diethylamino)uracil
CID 3487741
5-Amino-1,3-diethylpyrimidine-2,4(1h,3h)-dione
CID 251388
1,3-Dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 12214770
3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 12214775
1,3,6-Trimethyl-5-(methylamino)pyrimidine-2,4-dione
CID 46705762

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methyl-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of 1-tert-butyl-3-methyl-2,6-dioxopyrimidine-4-carboxamide (CID 177129727) is 1-tert-butyl-3-methyl-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-3-methyl-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for 1-tert-butyl-3-methyl-2,6-dioxopyrimidine-4-carboxamide is Cn1c(C(N)=O)cc(=O)n(C(C)(C)C)c1=O.
What is the InChIKey of 1-tert-butyl-3-methyl-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is YUQXBVGKUUTMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(2,3)13-7(14)5-6(8(11)15)12(4)9(13)16/h5H,1-4H3,(H2,11,15).
What are the key properties of 1-tert-butyl-3-methyl-2,6-dioxopyrimidine-4-carboxamide?
1-tert-butyl-3-methyl-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methyl-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 177129727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).