1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide

C10H15N3O3 — CID 2227167

IUPAC1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C10H15N3O3/c1-6(2)11-9(15)7-5-8(14)13(4)10(16)12(7)3/h5-6H,1-4H3,(H,11,15)
InChIKeyJXRZMXOIMFURIJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.78
Rot. Bonds2

About 1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide

1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 2227167) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID2227167
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C10H15N3O3/c1-6(2)11-9(15)7-5-8(14)13(4)10(16)12(7)3/h5-6H,1-4H3,(H,11,15)
InChIKeyJXRZMXOIMFURIJ-UHFFFAOYSA-N
XLogP-0.78
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-sec-Butyl-6-methyluracil
CID 100019
N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 21204487
5-(Dimethylamino)uracil
CID 255552
2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide
CID 110698284
N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 348854
2,4(1H,3H)-Pyrimidinedione, 3-ethyl-6-methyl-
CID 70505
Uracil, 6-methyl-4-propyl-
CID 165610
Acetamide, 2-(dimethylamino)-N-(2,4-dioxo-1,3,6-trimethyl-1,2,3,4-tetrahydro-5-pyrimidinyl)-
CID 57296
2-(Dimethylamino)-N-(1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanimidic acid
CID 3064443
6-(Aminomethyl)-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 12328989
N-cyclopropyl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxamide
CID 1505767
N-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2,4-hexadienamide
CID 2053608

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide (CID 2227167) is 1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide is CC(C)NC(=O)c1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is JXRZMXOIMFURIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6(2)11-9(15)7-5-8(14)13(4)10(16)12(7)3/h5-6H,1-4H3,(H,11,15).
What are the key properties of 1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide?
1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 2227167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).