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

C11H18N4O2 — CID 113248927

IUPAC6-amino-1-ethyl-5-[(1-methylcyclopropyl)methylamino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCC2(C)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-3-15-8(12)7(9(16)14-10(15)17)13-6-11(2)4-5-11/h13H,3-6,12H2,1-2H3,(H,14,16,17)
InChIKeyABFVBPBMMWWIOX-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.35
Rot. Bonds4

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

6-amino-1-ethyl-5-[(1-methylcyclopropyl)methylamino]pyrimidine-2,4-dione (PubChem CID 113248927) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-[(1-methylcyclopropyl)methylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-[(1-methylcyclopropyl)methylamino]pyrimidine-2,4-dione
PubChem CID113248927
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name6-amino-1-ethyl-5-[(1-methylcyclopropyl)methylamino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCC2(C)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-3-15-8(12)7(9(16)14-10(15)17)13-6-11(2)4-5-11/h13H,3-6,12H2,1-2H3,(H,14,16,17)
InChIKeyABFVBPBMMWWIOX-UHFFFAOYSA-N
XLogP0.35
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-Amino-5-(butylamino)-1-(2-methylpropyl)-2,4(1H,3H)-pyrimidinedione
CID 3813450
6-Amino-5-(butylamino)-1-propylpyrimidine-2,4(1H,3H)-dione
CID 2398074
6-Amino-1-butyl-5-(propylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2363721
6-Amino-1-butyl-5-[(2-methylpropyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2384333
6-Amino-1-butyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2393504
5,6-Diamino-1,3-dipropyl-2,4(1H,3H)-pyrimidinedione
CID 5098605
6-Amino-1-(2-methylpropyl)-5-[(2-methylpropyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2366802
N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-(methylamino)-N-(2-methylpropyl)acetamide
CID 2110810
6-Amino-1-butyl-5-[(3-methylbutyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2341172
6-Amino-1-butyl-5-butylamino-1H-pyrimidine-2,4-dione
CID 2341171
6-Amino-1-butyl-5-[methyl(3-methylbutyl)amino]pyrimidine-2,4-dione
CID 25467217
6-Amino-1-ethyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 47003040

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-[(1-methylcyclopropyl)methylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-[(1-methylcyclopropyl)methylamino]pyrimidine-2,4-dione (CID 113248927) is 6-amino-1-ethyl-5-[(1-methylcyclopropyl)methylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-[(1-methylcyclopropyl)methylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-[(1-methylcyclopropyl)methylamino]pyrimidine-2,4-dione is CCn1c(N)c(NCC2(C)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-[(1-methylcyclopropyl)methylamino]pyrimidine-2,4-dione?
The InChIKey is ABFVBPBMMWWIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-15-8(12)7(9(16)14-10(15)17)13-6-11(2)4-5-11/h13H,3-6,12H2,1-2H3,(H,14,16,17).
What are the key properties of 6-amino-1-ethyl-5-[(1-methylcyclopropyl)methylamino]pyrimidine-2,4-dione?
6-amino-1-ethyl-5-[(1-methylcyclopropyl)methylamino]pyrimidine-2,4-dione has a molecular weight of 238.29 g/mol, XLogP of 0.35, 4 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-methylcyclopropyl)methylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 113248927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).