2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-methylbutan-2-amine

C10H17N3O4 — CID 173485610

IUPAC2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-methylbutan-2-amine
SMILESCCC(C)(C)N.O=C(O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H4N2O4.C5H13N/c8-3-1-2(4(9)10)6-5(11)7-3;1-4-5(2,3)6/h1H,(H,9,10)(H2,6,7,8,11);4,6H2,1-3H3
InChIKeyUJPMQCDGVYUXQK-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.10
Rot. Bonds2

About 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-methylbutan-2-amine

2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-methylbutan-2-amine (PubChem CID 173485610) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-methylbutan-2-amine.

Molecular Properties

Compound Name2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-methylbutan-2-amine
PubChem CID173485610
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-methylbutan-2-amine
SMILESCCC(C)(C)N.O=C(O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H4N2O4.C5H13N/c8-3-1-2(4(9)10)6-5(11)7-3;1-4-5(2,3)6/h1H,(H,9,10)(H2,6,7,8,11);4,6H2,1-3H3
InChIKeyUJPMQCDGVYUXQK-UHFFFAOYSA-N
XLogP-0.10
TPSA129.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-methylbutan-2-amine?
The IUPAC name of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-methylbutan-2-amine (CID 173485610) is 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-methylbutan-2-amine.
What is the SMILES notation for 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-methylbutan-2-amine?
The canonical SMILES for 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-methylbutan-2-amine is CCC(C)(C)N.O=C(O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-methylbutan-2-amine?
The InChIKey is UJPMQCDGVYUXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4.C5H13N/c8-3-1-2(4(9)10)6-5(11)7-3;1-4-5(2,3)6/h1H,(H,9,10)(H2,6,7,8,11);4,6H2,1-3H3.
What are the key properties of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-methylbutan-2-amine?
2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-methylbutan-2-amine has a molecular weight of 243.26 g/mol, XLogP of -0.10, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-methylbutan-2-amine is sourced from PubChem (CID 173485610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).