4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one

C12H20N4O — CID 136964631

IUPAC4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(CCN)C2CCC2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-2-10-14-11(8-12(17)15-10)16(7-6-13)9-4-3-5-9/h8-9H,2-7,13H2,1H3,(H,14,15,17)
InChIKeySVEFWEKMDQCEFR-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.65
Rot. Bonds5

About 4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one

4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136964631) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136964631
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(CCN)C2CCC2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-2-10-14-11(8-12(17)15-10)16(7-6-13)9-4-3-5-9/h8-9H,2-7,13H2,1H3,(H,14,15,17)
InChIKeySVEFWEKMDQCEFR-UHFFFAOYSA-N
XLogP0.65
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-aminocyclohexyl)-propylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136978638
4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137008122
2-ethyl-4-[ethyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136978140
4-[(4-aminophenyl)methyl-cyclopropylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979257
4-[3-aminopropyl(cyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136827336
4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136998914
4-[(2-amino-1-cyclopropylethyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979137
4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137009729
4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one
CID 103240537
4-[2-ethoxyethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137009852
4-[cyclohexyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136979615
2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
CID 137009106

Frequently Asked Questions

What is the IUPAC name of 4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one (CID 136964631) is 4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N(CCN)C2CCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is SVEFWEKMDQCEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-10-14-11(8-12(17)15-10)16(7-6-13)9-4-3-5-9/h8-9H,2-7,13H2,1H3,(H,14,15,17).
What are the key properties of 4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one?
4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136964631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).