6-amino-1H-pyrimidine-2,4-dione;cyclopropane

C7H11N3O2 — CID 174382000

IUPAC6-amino-1H-pyrimidine-2,4-dione;cyclopropane
SMILESC1CC1.Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C4H5N3O2.C3H6/c5-2-1-3(8)7-4(9)6-2;1-2-3-1/h1H,(H4,5,6,7,8,9);1-3H2
InChIKeyAYYCHHBMGKYWMR-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.18
Rot. Bonds

About 6-amino-1H-pyrimidine-2,4-dione;cyclopropane

6-amino-1H-pyrimidine-2,4-dione;cyclopropane (PubChem CID 174382000) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 6-amino-1H-pyrimidine-2,4-dione;cyclopropane.

Molecular Properties

Compound Name6-amino-1H-pyrimidine-2,4-dione;cyclopropane
PubChem CID174382000
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name6-amino-1H-pyrimidine-2,4-dione;cyclopropane
SMILESC1CC1.Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C4H5N3O2.C3H6/c5-2-1-3(8)7-4(9)6-2;1-2-3-1/h1H,(H4,5,6,7,8,9);1-3H2
InChIKeyAYYCHHBMGKYWMR-UHFFFAOYSA-N
XLogP-0.18
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1H-pyrimidine-2,4-dione;cyclopropane?
The IUPAC name of 6-amino-1H-pyrimidine-2,4-dione;cyclopropane (CID 174382000) is 6-amino-1H-pyrimidine-2,4-dione;cyclopropane.
What is the SMILES notation for 6-amino-1H-pyrimidine-2,4-dione;cyclopropane?
The canonical SMILES for 6-amino-1H-pyrimidine-2,4-dione;cyclopropane is C1CC1.Nc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-amino-1H-pyrimidine-2,4-dione;cyclopropane?
The InChIKey is AYYCHHBMGKYWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2.C3H6/c5-2-1-3(8)7-4(9)6-2;1-2-3-1/h1H,(H4,5,6,7,8,9);1-3H2.
What are the key properties of 6-amino-1H-pyrimidine-2,4-dione;cyclopropane?
6-amino-1H-pyrimidine-2,4-dione;cyclopropane has a molecular weight of 169.18 g/mol, XLogP of -0.18, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1H-pyrimidine-2,4-dione;cyclopropane is sourced from PubChem (CID 174382000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).