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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Related Compounds

6-amino-1H-pyrimidine-2,4-dione;4,5-dichloro-2-methoxyaniline
CID 70633784
6-methyl-1H-pyrimidine-2,4-dione
CID 160901514
6-(4-aminophenyl)-1H-pyrimidine-2,4-dione
CID 20980738
6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
CID 168661390
6-(1-chloroethyl)-1H-pyrimidine-2,4-dione
CID 70430271
6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione
CID 95473920
6-(bromoamino)-1H-pyrimidine-2,4-dione
CID 129114868
6-[2-(4-aminophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
CID 90678608
2,4-dioxo-1H-pyrimidine-6-carboxylic acid;nickel
CID 174829099
6-(4-hydroxybutyl)-1H-pyrimidine-2,4-dione
CID 174340900
2,7-diamino-1,8-dihydropyrrolo[3,2-g]indole-4,5-dione
CID 167054962
6-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione;hydrochloride
CID 139026489

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).