4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one

C11H20N4O2 — CID 136978906

IUPAC4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(N)(CC)CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H20N4O2/c1-4-11(12,5-2)6-13-9-8(17-3)10(16)15-7-14-9/h7H,4-6,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyAGJWOEKTUSDZBD-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.71
Rot. Bonds6

About 4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136978906) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136978906
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(N)(CC)CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H20N4O2/c1-4-11(12,5-2)6-13-9-8(17-3)10(16)15-7-14-9/h7H,4-6,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyAGJWOEKTUSDZBD-UHFFFAOYSA-N
XLogP0.71
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976940
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136864256
4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136999429
N-[1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 136975775
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 137003215
4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136977399
4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137008774
4-[(5-amino-1H-pyrazol-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136978664
4-[[1-(2-aminoethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136951275
4-[(3-amino-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137011790
4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136999749

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136978906) is 4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one is CCC(N)(CC)CNc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is AGJWOEKTUSDZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-11(12,5-2)6-13-9-8(17-3)10(16)15-7-14-9/h7H,4-6,12H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 240.31 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136978906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).