5-bromo-4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one

C10H16BrN3O2 — CID 136954503

IUPAC5-bromo-4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCCOC(C)(C)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O2/c1-4-16-10(2,3)5-12-8-7(11)9(15)14-6-13-8/h6H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyLLBFKFRZUZLHGP-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.76
Rot. Bonds5

About 5-bromo-4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one

5-bromo-4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136954503) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 5-bromo-4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
PubChem CID136954503
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name5-bromo-4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCCOC(C)(C)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O2/c1-4-16-10(2,3)5-12-8-7(11)9(15)14-6-13-8/h6H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyLLBFKFRZUZLHGP-UHFFFAOYSA-N
XLogP1.76
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696651
4-[3-(2-aminoethoxy)propylamino]-5-bromo-1H-pyrimidin-6-one
CID 136730543
5-bromo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764962
5-bromo-4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136764981
5-bromo-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136792833
5-bromo-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820298
5-bromo-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136824076
5-bromo-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136825656
5-bromo-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one
CID 136852198
5-bromo-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
CID 136883384
5-bromo-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one
CID 136896843
5-chloro-4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136954500

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one (CID 136954503) is 5-bromo-4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one is CCOC(C)(C)CNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is LLBFKFRZUZLHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-4-16-10(2,3)5-12-8-7(11)9(15)14-6-13-8/h6H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 290.16 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136954503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).