6-amino-1,3-bis(cyclopropylmethyl)pyrimidine-2,4-dione

C12H17N3O2 — CID 18624515

IUPAC6-amino-1,3-bis(cyclopropylmethyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)n(CC2CC2)c(=O)n1CC1CC1
InChIInChI=1S/C12H17N3O2/c13-10-5-11(16)15(7-9-3-4-9)12(17)14(10)6-8-1-2-8/h5,8-9H,1-4,6-7,13H2
InChIKeyQARPQNOWMWFOHG-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.41
Rot. Bonds4

About 6-amino-1,3-bis(cyclopropylmethyl)pyrimidine-2,4-dione

6-amino-1,3-bis(cyclopropylmethyl)pyrimidine-2,4-dione (PubChem CID 18624515) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-amino-1,3-bis(cyclopropylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-bis(cyclopropylmethyl)pyrimidine-2,4-dione
PubChem CID18624515
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-amino-1,3-bis(cyclopropylmethyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)n(CC2CC2)c(=O)n1CC1CC1
InChIInChI=1S/C12H17N3O2/c13-10-5-11(16)15(7-9-3-4-9)12(17)14(10)6-8-1-2-8/h5,8-9H,1-4,6-7,13H2
InChIKeyQARPQNOWMWFOHG-UHFFFAOYSA-N
XLogP0.41
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-amino-1,3-bis(cyclopropylmethyl)pyrimidine-2,4-dione 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

6-amino-1,3-bis(cyclopropylmethyl)quinazoline-2,4-dione
CID 118658560
6-chloro-3-cyclopropyl-1-(cyclopropylmethyl)pyrimidine-2,4-dione
CID 71479917
6-chloro-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione
CID 69197514
4-amino-1-(cyclopropylmethyl)pyridin-2-one;hydrochloride
CID 155822557
1-(cyclopropylmethyl)-6-hydrazinyl-3-(4-pyrazol-1-ylbut-2-ynyl)pyrimidine-2,4-dione
CID 71480566
6-hydroxy-4-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 105479328
5-amino-3-(cyclopropylmethyl)-1-propylpyrimidine-2,4-dione
CID 63800468
6-chloro-1-(cyclopropylmethyl)-3-(4-pyrazol-1-ylbut-2-ynyl)pyrimidine-2,4-dione
CID 71480025
6-amino-3-(2-cyclopropyl-2-oxoethyl)-1-methylpyrimidine-2,4-dione;ethane
CID 155704729
8-amino-1,3-bis(cyclopropylmethyl)-7-methylpurine-2,6-dione
CID 10039809
5-amino-1-(cyclopentylmethyl)-4-methylpyridin-2-one
CID 79355013
1-[(4-aminocyclohexyl)methyl]-3-methylbenzimidazol-2-one
CID 67339990

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-bis(cyclopropylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-bis(cyclopropylmethyl)pyrimidine-2,4-dione (CID 18624515) is 6-amino-1,3-bis(cyclopropylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-bis(cyclopropylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-bis(cyclopropylmethyl)pyrimidine-2,4-dione is Nc1cc(=O)n(CC2CC2)c(=O)n1CC1CC1.
What is the InChIKey of 6-amino-1,3-bis(cyclopropylmethyl)pyrimidine-2,4-dione?
The InChIKey is QARPQNOWMWFOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-10-5-11(16)15(7-9-3-4-9)12(17)14(10)6-8-1-2-8/h5,8-9H,1-4,6-7,13H2.
What are the key properties of 6-amino-1,3-bis(cyclopropylmethyl)pyrimidine-2,4-dione?
6-amino-1,3-bis(cyclopropylmethyl)pyrimidine-2,4-dione has a molecular weight of 235.29 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-bis(cyclopropylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 18624515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).