6-amino-1-ethyl-5-[(1-propylcyclopropyl)methylamino]pyrimidine-2,4-dione

C13H22N4O2 — CID 103761646

IUPAC6-amino-1-ethyl-5-[(1-propylcyclopropyl)methylamino]pyrimidine-2,4-dione
SMILESCCCC1(CNc2c(N)n(CC)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C13H22N4O2/c1-3-5-13(6-7-13)8-15-9-10(14)17(4-2)12(19)16-11(9)18/h15H,3-8,14H2,1-2H3,(H,16,18,19)
InChIKeyAPIAYEGJHLAQMA-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.13
Rot. Bonds6

About 6-amino-1-ethyl-5-[(1-propylcyclopropyl)methylamino]pyrimidine-2,4-dione

6-amino-1-ethyl-5-[(1-propylcyclopropyl)methylamino]pyrimidine-2,4-dione (PubChem CID 103761646) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-[(1-propylcyclopropyl)methylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-[(1-propylcyclopropyl)methylamino]pyrimidine-2,4-dione
PubChem CID103761646
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name6-amino-1-ethyl-5-[(1-propylcyclopropyl)methylamino]pyrimidine-2,4-dione
SMILESCCCC1(CNc2c(N)n(CC)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C13H22N4O2/c1-3-5-13(6-7-13)8-15-9-10(14)17(4-2)12(19)16-11(9)18/h15H,3-8,14H2,1-2H3,(H,16,18,19)
InChIKeyAPIAYEGJHLAQMA-UHFFFAOYSA-N
XLogP1.13
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-1-ethyl-5-[(1-methylcyclopropyl)methylamino]pyrimidine-2,4-dione
CID 113248927
6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione
CID 113248923
6-amino-1-ethyl-5-[(1-methylcyclobutyl)amino]pyrimidine-2,4-dione
CID 115765441
6-amino-5-[(2,2-dimethylcyclopropyl)methylamino]-1-ethylpyrimidine-2,4-dione
CID 103659754
6-amino-1-ethyl-5-[[1-(hydroxymethyl)cyclobutyl]amino]pyrimidine-2,4-dione
CID 115731874
6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione
CID 115613202
6-amino-5-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione
CID 115571526
6-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 103847814
6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione
CID 107302596
6-amino-1-ethyl-5-(thian-4-ylmethylamino)pyrimidine-2,4-dione
CID 115625293
6-amino-1-ethyl-5-[(4-fluorophenyl)methylamino]pyrimidine-2,4-dione
CID 60649008
3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide
CID 106170945

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-[(1-propylcyclopropyl)methylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-[(1-propylcyclopropyl)methylamino]pyrimidine-2,4-dione (CID 103761646) is 6-amino-1-ethyl-5-[(1-propylcyclopropyl)methylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-[(1-propylcyclopropyl)methylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-[(1-propylcyclopropyl)methylamino]pyrimidine-2,4-dione is CCCC1(CNc2c(N)n(CC)c(=O)[nH]c2=O)CC1.
What is the InChIKey of 6-amino-1-ethyl-5-[(1-propylcyclopropyl)methylamino]pyrimidine-2,4-dione?
The InChIKey is APIAYEGJHLAQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-5-13(6-7-13)8-15-9-10(14)17(4-2)12(19)16-11(9)18/h15H,3-8,14H2,1-2H3,(H,16,18,19).
What are the key properties of 6-amino-1-ethyl-5-[(1-propylcyclopropyl)methylamino]pyrimidine-2,4-dione?
6-amino-1-ethyl-5-[(1-propylcyclopropyl)methylamino]pyrimidine-2,4-dione has a molecular weight of 266.34 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-[(1-propylcyclopropyl)methylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 103761646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).